CID 16771595

N-[4-(aminomethyl)phenyl]propanamide hydrochloride

Structural Information

Molecular Formula
C10H14N2O
SMILES
CCC(=O)NC1=CC=C(C=C1)CN
InChI
InChI=1S/C10H14N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey
HNPOHVIHCOBHPK-UHFFFAOYSA-N
Compound name
N-[4-(aminomethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

178.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 139.5
[M+Na]+ 201.099828 145.7
[M-H]- 177.103334 142.7
[M+NH4]+ 196.144433 158.8
[M+K]+ 217.073768 143.5
[M+H-H2O]+ 161.107870 133.1
[M+HCOO]- 223.108811 164.6
[M+CH3COO]- 237.124461 185.9
[M+Na-2H]- 199.085276 144.6
[M]+ 178.11006142 137.6
[M]- 178.11115858 137.6
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

patents stripe