CID 389677

Nsc686129

Structural Information

Molecular Formula
C13H8N2O2
SMILES
CC1=C2C(=C3N1C=CC=C3)C=C(C(=O)O2)C#N
InChI
InChI=1S/C13H8N2O2/c1-8-12-10(6-9(7-14)13(16)17-12)11-4-2-3-5-15(8)11/h2-6H,1H3
InChIKey
ZXTNTCKCIPGSTJ-UHFFFAOYSA-N
Compound name
10-methyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05858 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06586 149.0
[M+Na]+ 247.04780 164.5
[M-H]- 223.05130 153.6
[M+NH4]+ 242.09240 167.0
[M+K]+ 263.02174 158.1
[M+H-H2O]+ 207.05584 135.9
[M+HCOO]- 269.05678 168.5
[M+CH3COO]- 283.07243 162.0
[M+Na-2H]- 245.03325 156.1
[M]+ 224.05803 148.9
[M]- 224.05913 148.9
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.