CID 26279

2,3-dimethyl-6-nitro-1h-indole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 137.0
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