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]+ 261.19615 158.8
[M+Na]+ 283.17809 164.1
[M-H]- 259.18159 166.6
[M+NH4]+ 278.22269 170.6
[M+K]+ 299.15203 161.7
[M+H-H2O]+ 243.18613 151.4
[M+HCOO]- 305.18707 181.2
[M+CH3COO]- 319.20272 209.9
[M+Na-2H]- 281.16354 159.0
[M]+ 260.18832 160.5
[M]- 260.18942 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.