CID 21095

2-indolinone, 3-(2-aminoethyl)-, hydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)CCN
InChI
InChI=1S/C10H12N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)
InChIKey
SZDFIVJGWVHZAV-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

30
Patents

176.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.9
[M+Na]+ 199.08418 145.1
[M-H]- 175.08768 138.4
[M+NH4]+ 194.12878 157.7
[M+K]+ 215.05812 141.0
[M+H-H2O]+ 159.09222 130.9
[M+HCOO]- 221.09316 158.4
[M+CH3COO]- 235.10881 179.7
[M+Na-2H]- 197.06963 141.8
[M]+ 176.09441 133.8
[M]- 176.09551 133.8
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.