CID 57312

97805-01-1

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC(=NOC(=O)NC1=CC2=C(C=C1)OCO2)C
InChI
InChI=1S/C11H12N2O4/c1-7(2)13-17-11(14)12-8-3-4-9-10(5-8)16-6-15-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKey
WXLQUUWBNPVNPE-UHFFFAOYSA-N
Compound name
(propan-2-ylideneamino) N-(1,3-benzodioxol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 151.7
[M+Na]+ 259.06893 160.9
[M+NH4]+ 254.11353 158.5
[M+K]+ 275.04287 159.1
[M-H]- 235.07243 155.7
[M+Na-2H]- 257.05438 154.5
[M]+ 236.07916 153.8
[M]- 236.08026 153.8
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.