CID 42951958

5-(1-aminoethyl)-2,3-dihydro-1h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC(C1=CC2=C(C=C1)NC(=O)C2)N
InChI
InChI=1S/C10H12N2O/c1-6(11)7-2-3-9-8(4-7)5-10(13)12-9/h2-4,6H,5,11H2,1H3,(H,12,13)
InChIKey
CQWMZWLOIWMFOA-UHFFFAOYSA-N
Compound name
5-(1-aminoethyl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 137.7
[M+Na]+ 199.08418 145.6
[M-H]- 175.08768 139.3
[M+NH4]+ 194.12878 158.4
[M+K]+ 215.05812 142.0
[M+H-H2O]+ 159.09222 131.8
[M+HCOO]- 221.09316 158.1
[M+CH3COO]- 235.10881 180.6
[M+Na-2H]- 197.06963 141.3
[M]+ 176.09441 133.9
[M]- 176.09551 133.9
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