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

39
Patents

178.07423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 135.2
[M+Na]+ 201.063448 143.0
[M-H]- 177.066954 137.5
[M+NH4]+ 196.108053 155.6
[M+K]+ 217.037388 136.0
[M+H-H2O]+ 161.071490 134.1
[M+HCOO]- 223.072431 157.4
[M+CH3COO]- 237.088081 172.5
[M+Na-2H]- 199.048896 142.7
[M]+ 178.07368142 131.5
[M]- 178.07477858 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