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

literature stripe

Patent stripe

patents stripe