CID 20120986

3-amino-n-[(4-methoxyphenyl)methyl]propanamide hydrochloride

Structural Information

Molecular Formula
C11H16N2O2
SMILES
COC1=CC=C(C=C1)CNC(=O)CCN
InChI
InChI=1S/C11H16N2O2/c1-15-10-4-2-9(3-5-10)8-13-11(14)6-7-12/h2-5H,6-8,12H2,1H3,(H,13,14)
InChIKey
SWNZTRLIBXKDAZ-UHFFFAOYSA-N
Compound name
3-amino-N-[(4-methoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 146.9
[M+Na]+ 231.110408 152.6
[M-H]- 207.113914 149.9
[M+NH4]+ 226.155013 165.0
[M+K]+ 247.084348 150.7
[M+H-H2O]+ 191.118450 140.0
[M+HCOO]- 253.119391 171.9
[M+CH3COO]- 267.135041 191.1
[M+Na-2H]- 229.095856 151.6
[M]+ 208.12064142 146.8
[M]- 208.12173858 146.8
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.