CID 59129205

5-methyl-6-nitro-2,3-dihydro-1h-indole hydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=CC2=C(C=C1[N+](=O)[O-])NCC2
InChI
InChI=1S/C9H10N2O2/c1-6-4-7-2-3-10-8(7)5-9(6)11(12)13/h4-5,10H,2-3H2,1H3
InChIKey
BMGLKQQAARHMOW-UHFFFAOYSA-N
Compound name
5-methyl-6-nitro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

178.07423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.2
[M+Na]+ 201.06345 143.0
[M-H]- 177.06695 137.5
[M+NH4]+ 196.10805 155.6
[M+K]+ 217.03739 136.0
[M+H-H2O]+ 161.07149 134.1
[M+HCOO]- 223.07243 157.4
[M+CH3COO]- 237.08808 172.5
[M+Na-2H]- 199.04890 142.7
[M]+ 178.07368 131.5
[M]- 178.07478 131.5
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

patents stripe