CID 212525

Bo 738 hydrochloride

Structural Information

Molecular Formula
C13H18N2
SMILES
CC(C)(CC1=CC=CC=C1)NCCC#N
InChI
InChI=1S/C13H18N2/c1-13(2,15-10-6-9-14)11-12-7-4-3-5-8-12/h3-5,7-8,15H,6,10-11H2,1-2H3
InChIKey
ZRTIQCGGFSLOFY-UHFFFAOYSA-N
Compound name
3-[(2-methyl-1-phenylpropan-2-yl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 151.8
[M+Na]+ 225.13622 159.3
[M-H]- 201.13972 154.4
[M+NH4]+ 220.18082 168.6
[M+K]+ 241.11016 155.8
[M+H-H2O]+ 185.14426 139.1
[M+HCOO]- 247.14520 170.8
[M+CH3COO]- 261.16085 201.3
[M+Na-2H]- 223.12167 157.8
[M]+ 202.14645 146.7
[M]- 202.14755 146.7
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.