CID 3414216

302785-50-8

Structural Information

Molecular Formula
C13H18N2
SMILES
CC(CCC1=CC=CC=C1)NCCC#N
InChI
InChI=1S/C13H18N2/c1-12(15-11-5-10-14)8-9-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-9,11H2,1H3
InChIKey
ZQXYBODARBOTEP-UHFFFAOYSA-N
Compound name
3-(4-phenylbutan-2-ylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 149.6
[M+Na]+ 225.13622 156.5
[M-H]- 201.13972 151.9
[M+NH4]+ 220.18082 166.3
[M+K]+ 241.11016 152.9
[M+H-H2O]+ 185.14426 136.4
[M+HCOO]- 247.14520 169.2
[M+CH3COO]- 261.16085 201.7
[M+Na-2H]- 223.12167 154.2
[M]+ 202.14645 144.4
[M]- 202.14755 144.4
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.