CID 36507

Carbanilic acid, o-methyl-, n-ethyl-3-pyrrolidinyl ester, oxalate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCN1CCC(C1)OC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C14H20N2O2/c1-3-16-9-8-12(10-16)18-14(17)15-13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
InChIKey
KDMBKBOAWFRFMR-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 158.5
[M+Na]+ 271.141698 164.0
[M-H]- 247.145204 163.5
[M+NH4]+ 266.186303 175.9
[M+K]+ 287.115638 161.5
[M+H-H2O]+ 231.149740 150.6
[M+HCOO]- 293.150681 180.2
[M+CH3COO]- 307.166331 195.1
[M+Na-2H]- 269.127146 159.9
[M]+ 248.15193142 157.5
[M]- 248.15302858 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.