CID 353326

Nsc601302

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCOC(=O)C1=C(C(=C2N1C=CC=C2)N=O)C
InChI
InChI=1S/C12H12N2O3/c1-3-17-12(15)11-8(2)10(13-16)9-6-4-5-7-14(9)11/h4-7H,3H2,1-2H3
InChIKey
VAUAPQJUSCJYLY-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-1-nitrosoindolizine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 147.7
[M+Na]+ 255.07402 158.6
[M-H]- 231.07752 153.5
[M+NH4]+ 250.11862 168.2
[M+K]+ 271.04796 156.8
[M+H-H2O]+ 215.08206 140.9
[M+HCOO]- 277.08300 174.7
[M+CH3COO]- 291.09865 195.7
[M+Na-2H]- 253.05947 153.7
[M]+ 232.08425 154.7
[M]- 232.08535 154.7
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.