CID 353327

2-methyl-6-nitroindolizine

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=CN2C=C(C=CC2=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O2/c1-7-4-8-2-3-9(11(12)13)6-10(8)5-7/h2-6H,1H3
InChIKey
MAZOIJIDRZDDKK-UHFFFAOYSA-N
Compound name
2-methyl-6-nitroindolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.05858 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.6
[M+Na]+ 199.04780 142.7
[M-H]- 175.05130 137.0
[M+NH4]+ 194.09240 153.9
[M+K]+ 215.02174 136.3
[M+H-H2O]+ 159.05584 131.1
[M+HCOO]- 221.05678 159.1
[M+CH3COO]- 235.07243 174.8
[M+Na-2H]- 197.03325 142.3
[M]+ 176.05803 133.5
[M]- 176.05913 133.5
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.