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 145.2
[M+Na]+ 226.08386 152.2
[M+NH4]+ 221.12846 149.6
[M+K]+ 242.05780 148.1
[M-H]- 202.08736 144.7
[M+Na-2H]- 224.06931 148.1
[M]+ 203.09409 144.7
[M]- 203.09519 144.7
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.