CID 14218721

100511-83-9

Structural Information

Molecular Formula
C11H15NO2
SMILES
COC(=O)CCC1=CC(=CC=C1)CN
InChI
InChI=1S/C11H15NO2/c1-14-11(13)6-5-9-3-2-4-10(7-9)8-12/h2-4,7H,5-6,8,12H2,1H3
InChIKey
WSFASYFZFSTLPQ-UHFFFAOYSA-N
Compound name
methyl 3-[3-(aminomethyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

193.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 143.2
[M+Na]+ 216.099498 149.9
[M-H]- 192.103004 146.3
[M+NH4]+ 211.144103 162.3
[M+K]+ 232.073438 148.0
[M+H-H2O]+ 176.107540 136.9
[M+HCOO]- 238.108481 167.2
[M+CH3COO]- 252.124131 186.0
[M+Na-2H]- 214.084946 147.6
[M]+ 193.10973142 143.9
[M]- 193.11082858 143.9
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