CID 66568346

(2s)-2-amino-n-cyclopropyl-3-methyl-n-[(2-methylphenyl)methyl]butanamide; trifluoroacetic acid

Structural Information

Molecular Formula
C16H24N2O
SMILES
CC1=CC=CC=C1CN(C2CC2)C(=O)[C@H](C(C)C)N
InChI
InChI=1S/C16H24N2O/c1-11(2)15(17)16(19)18(14-8-9-14)10-13-7-5-4-6-12(13)3/h4-7,11,14-15H,8-10,17H2,1-3H3/t15-/m0/s1
InChIKey
QZSGLVPPOCHIAY-HNNXBMFYSA-N
Compound name
(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 158.8
[M+Na]+ 283.178088 164.1
[M-H]- 259.181594 166.6
[M+NH4]+ 278.222693 170.6
[M+K]+ 299.152028 161.7
[M+H-H2O]+ 243.186130 151.4
[M+HCOO]- 305.187071 181.2
[M+CH3COO]- 319.202721 209.9
[M+Na-2H]- 281.163536 159.0
[M]+ 260.18832142 160.5
[M]- 260.18941858 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.