CID 11378828

2-methyl-5-nitroindoline

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-3,5-6,10H,4H2,1H3
InChIKey
JVOZJSSFSXFDAU-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

178.07423 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe