CID 66568346

2361609-32-5

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 162.0
[M+Na]+ 283.17809 172.5
[M+NH4]+ 278.22269 170.0
[M+K]+ 299.15203 169.0
[M-H]- 259.18159 172.5
[M+Na-2H]- 281.16354 170.0
[M]+ 260.18832 167.3
[M]- 260.18942 167.3
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.