CID 600508

2-methyl-6-nitro-1h-indole

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=CC2=C(N1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O2/c1-6-4-7-2-3-8(11(12)13)5-9(7)10-6/h2-5,10H,1H3
InChIKey
QYRWLOIXPQRTLO-UHFFFAOYSA-N
Compound name
2-methyl-6-nitro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

176.05858 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.4
[M+Na]+ 199.04780 142.2
[M-H]- 175.05130 135.5
[M+NH4]+ 194.09240 153.1
[M+K]+ 215.02174 134.8
[M+H-H2O]+ 159.05584 131.3
[M+HCOO]- 221.05678 157.5
[M+CH3COO]- 235.07243 171.9
[M+Na-2H]- 197.03325 141.8
[M]+ 176.05803 131.6
[M]- 176.05913 131.6
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

patents stripe