CID 24846084

95449-89-1

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CNC(=O)O/N=C\1/C2=CC=CC=C2OC13CC3
InChI
InChI=1S/C12H12N2O3/c1-13-11(15)17-14-10-8-4-2-3-5-9(8)16-12(10)6-7-12/h2-5H,6-7H2,1H3,(H,13,15)/b14-10-
InChIKey
ZKBLXGUOAUNMFC-UVTDQMKNSA-N
Compound name
[(Z)-spiro[1-benzofuran-2,1'-cyclopropane]-3-ylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 148.7
[M+Na]+ 255.074018 158.7
[M-H]- 231.077524 158.4
[M+NH4]+ 250.118623 165.7
[M+K]+ 271.047958 157.2
[M+H-H2O]+ 215.082060 143.3
[M+HCOO]- 277.083001 173.4
[M+CH3COO]- 291.098651 196.2
[M+Na-2H]- 253.059466 157.3
[M]+ 232.08425142 153.6
[M]- 232.08534858 153.6
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.