CID 23254

6813-93-0

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC(=NOC(=O)C)C1CC2=CC=CC=C12
InChI
InChI=1S/C12H13NO2/c1-8(13-15-9(2)14)12-7-10-5-3-4-6-11(10)12/h3-6,12H,7H2,1-2H3
InChIKey
SAOFVFOSJVBALO-UHFFFAOYSA-N
Compound name
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

203.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.8
[M+Na]+ 226.08386 149.6
[M-H]- 202.08736 149.5
[M+NH4]+ 221.12846 157.8
[M+K]+ 242.05780 151.7
[M+H-H2O]+ 186.09190 132.1
[M+HCOO]- 248.09284 166.6
[M+CH3COO]- 262.10849 194.3
[M+Na-2H]- 224.06931 149.1
[M]+ 203.09409 154.6
[M]- 203.09519 154.6
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.