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]+ 177.10224 136.5
[M+Na]+ 199.08418 147.0
[M-H]- 175.08768 140.2
[M+NH4]+ 194.12878 158.6
[M+K]+ 215.05812 143.8
[M+H-H2O]+ 159.09222 130.9
[M+HCOO]- 221.09316 159.5
[M+CH3COO]- 235.10881 184.6
[M+Na-2H]- 197.06963 140.5
[M]+ 176.09441 136.0
[M]- 176.09551 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.