CID 16773966

N-[3-(aminomethyl)phenyl]-2-methylpropanamide

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC(C)C(=O)NC1=CC=CC(=C1)CN
InChI
InChI=1S/C11H16N2O/c1-8(2)11(14)13-10-5-3-4-9(6-10)7-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKey
IUIQBJCTFVOUHC-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.7
[M+Na]+ 215.11549 150.3
[M-H]- 191.11899 147.9
[M+NH4]+ 210.16009 163.5
[M+K]+ 231.08943 148.4
[M+H-H2O]+ 175.12353 138.3
[M+HCOO]- 237.12447 168.5
[M+CH3COO]- 251.14012 189.9
[M+Na-2H]- 213.10094 148.1
[M]+ 192.12572 142.6
[M]- 192.12682 142.6
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