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]+ 233.09208 148.7
[M+Na]+ 255.07402 158.7
[M-H]- 231.07752 158.4
[M+NH4]+ 250.11862 165.7
[M+K]+ 271.04796 157.2
[M+H-H2O]+ 215.08206 143.3
[M+HCOO]- 277.08300 173.4
[M+CH3COO]- 291.09865 196.2
[M+Na-2H]- 253.05947 157.3
[M]+ 232.08425 153.6
[M]- 232.08535 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.