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 151.3
[M+Na]+ 259.06893 157.8
[M-H]- 235.07243 158.4
[M+NH4]+ 254.11353 169.1
[M+K]+ 275.04287 159.5
[M+H-H2O]+ 219.07697 144.9
[M+HCOO]- 281.07791 175.2
[M+CH3COO]- 295.09356 195.4
[M+Na-2H]- 257.05438 158.0
[M]+ 236.07916 154.8
[M]- 236.08026 154.8
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.