CID 62229970

2-amino-1-(2,3-dihydro-1h-isoindol-2-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1C2=CC=CC=C2CN1C(=O)CN
InChI
InChI=1S/C10H12N2O/c11-5-10(13)12-6-8-3-1-2-4-9(8)7-12/h1-4H,5-7,11H2
InChIKey
PJEVMIOUSWALSF-UHFFFAOYSA-N
Compound name
2-amino-1-(1,3-dihydroisoindol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 137.5
[M+Na]+ 199.08418 144.9
[M-H]- 175.08768 140.1
[M+NH4]+ 194.12878 158.6
[M+K]+ 215.05812 142.2
[M+H-H2O]+ 159.09222 131.0
[M+HCOO]- 221.09316 159.5
[M+CH3COO]- 235.10881 181.3
[M+Na-2H]- 197.06963 142.3
[M]+ 176.09441 135.0
[M]- 176.09551 135.0
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

patents stripe