CID 36508

33472-72-9

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1=CC=CC=C1NC(=O)OC2CCN(C2)C
InChI
InChI=1S/C13H18N2O2/c1-10-5-3-4-6-12(10)14-13(16)17-11-7-8-15(2)9-11/h3-6,11H,7-9H2,1-2H3,(H,14,16)
InChIKey
DTAAMVZDTXCCDV-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.9
[M+Na]+ 257.12605 159.8
[M-H]- 233.12955 159.2
[M+NH4]+ 252.17065 171.9
[M+K]+ 273.09999 157.6
[M+H-H2O]+ 217.13409 146.2
[M+HCOO]- 279.13503 176.0
[M+CH3COO]- 293.15068 192.1
[M+Na-2H]- 255.11150 155.9
[M]+ 234.13628 152.5
[M]- 234.13738 152.5
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.