CID 15034329

Methyl 4-(2-aminopropyl)benzoate hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(CC1=CC=C(C=C1)C(=O)OC)N
InChI
InChI=1S/C11H15NO2/c1-8(12)7-9-3-5-10(6-4-9)11(13)14-2/h3-6,8H,7,12H2,1-2H3
InChIKey
RHBGWZSBVYGMNY-UHFFFAOYSA-N
Compound name
methyl 4-(2-aminopropyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

193.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 150.0
[M-H]- 192.10300 146.8
[M+NH4]+ 211.14410 162.7
[M+K]+ 232.07344 148.7
[M+H-H2O]+ 176.10754 137.4
[M+HCOO]- 238.10848 166.6
[M+CH3COO]- 252.12413 186.9
[M+Na-2H]- 214.08495 146.7
[M]+ 193.10973 143.7
[M]- 193.11083 143.7
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