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 159.4
[M+Na]+ 271.14170 169.4
[M+NH4]+ 266.18630 166.7
[M+K]+ 287.11564 165.2
[M-H]- 247.14520 162.1
[M+Na-2H]- 269.12715 164.7
[M]+ 248.15193 161.3
[M]- 248.15303 161.3
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.

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No patent data available for this compound.