CID 13998421

Methyl 2-(3-aminopropoxy)benzoate

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC(=O)C1=CC=CC=C1OCCCN
InChI
InChI=1S/C11H15NO3/c1-14-11(13)9-5-2-3-6-10(9)15-8-4-7-12/h2-3,5-6H,4,7-8,12H2,1H3
InChIKey
DHXCJUPUYIENRV-UHFFFAOYSA-N
Compound name
methyl 2-(3-aminopropoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.1
[M+Na]+ 232.094418 152.7
[M-H]- 208.097924 149.2
[M+NH4]+ 227.139023 164.5
[M+K]+ 248.068358 151.4
[M+H-H2O]+ 192.102460 139.5
[M+HCOO]- 254.103401 170.3
[M+CH3COO]- 268.119051 188.1
[M+Na-2H]- 230.079866 150.5
[M]+ 209.10465142 148.3
[M]- 209.10574858 148.3
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.