CID 379600

Nsc664296

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC(=NOC(=O)NC1=C2C(=CC=C1)OCO2)C
InChI
InChI=1S/C11H12N2O4/c1-7(2)13-17-11(14)12-8-4-3-5-9-10(8)16-6-15-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKey
HOWDTJXNBAPBDN-UHFFFAOYSA-N
Compound name
(propan-2-ylideneamino) N-(1,3-benzodioxol-4-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]+ 237.086986 151.3
[M+Na]+ 259.068928 157.8
[M-H]- 235.072434 158.4
[M+NH4]+ 254.113533 169.1
[M+K]+ 275.042868 159.5
[M+H-H2O]+ 219.076970 144.9
[M+HCOO]- 281.077911 175.2
[M+CH3COO]- 295.093561 195.4
[M+Na-2H]- 257.054376 158.0
[M]+ 236.07916142 154.8
[M]- 236.08025858 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.