CID 88860

2,3-dimethyl-5-nitro-1h-indole

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-4-3-8(12(13)14)5-9(6)10/h3-5,11H,1-2H3
InChIKey
LKIMRQIKTONPER-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-nitro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

821
Patents

190.07423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 137.1
[M+Na]+ 213.06345 147.3
[M-H]- 189.06695 140.3
[M+NH4]+ 208.10805 157.5
[M+K]+ 229.03739 139.7
[M+H-H2O]+ 173.07149 136.1
[M+HCOO]- 235.07243 161.8
[M+CH3COO]- 249.08808 176.1
[M+Na-2H]- 211.04890 145.3
[M]+ 190.07368 136.9
[M]- 190.07478 136.9
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.