CID 30367

O-methylcarbanilic acid (1-methyl-3-pyrrolidinyl)methyl ester

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=CC=CC=C1NC(=O)OCC2CCN(C2)C
InChI
InChI=1S/C14H20N2O2/c1-11-5-3-4-6-13(11)15-14(17)18-10-12-7-8-16(2)9-12/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKey
NYOAGFLQMZLAFC-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl)methyl N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.5
[M+Na]+ 271.14170 164.0
[M-H]- 247.14520 163.5
[M+NH4]+ 266.18630 175.9
[M+K]+ 287.11564 161.5
[M+H-H2O]+ 231.14974 150.6
[M+HCOO]- 293.15068 180.2
[M+CH3COO]- 307.16633 195.1
[M+Na-2H]- 269.12715 159.9
[M]+ 248.15193 157.5
[M]- 248.15303 157.5
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.