CID 43254800

3-amino-1,5-dimethyl-2,3-dihydro-1h-indol-2-one dihydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1=CC2=C(C=C1)N(C(=O)C2N)C
InChI
InChI=1S/C10H12N2O/c1-6-3-4-8-7(5-6)9(11)10(13)12(8)2/h3-5,9H,11H2,1-2H3
InChIKey
MIHVXRGWIJOXCB-UHFFFAOYSA-N
Compound name
3-amino-1,5-dimethyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 136.5
[M+Na]+ 199.084178 147.0
[M-H]- 175.087684 140.2
[M+NH4]+ 194.128783 158.6
[M+K]+ 215.058118 143.8
[M+H-H2O]+ 159.092220 130.9
[M+HCOO]- 221.093161 159.5
[M+CH3COO]- 235.108811 184.6
[M+Na-2H]- 197.069626 140.5
[M]+ 176.09441142 136.0
[M]- 176.09550858 136.0
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.