CID 53473500

3-ethyl-3-hydroxy-2,3-dihydro-1h-isoindol-1-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
CCC1(C2=CC=CC=C2C(=O)N1)O
InChI
InChI=1S/C10H11NO2/c1-2-10(13)8-6-4-3-5-7(8)9(12)11-10/h3-6,13H,2H2,1H3,(H,11,12)
InChIKey
KELVQLBDARZFDQ-UHFFFAOYSA-N
Compound name
3-ethyl-3-hydroxy-2H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.6
[M+Na]+ 200.06820 146.2
[M-H]- 176.07170 137.7
[M+NH4]+ 195.11280 159.3
[M+K]+ 216.04214 142.2
[M+H-H2O]+ 160.07624 131.8
[M+HCOO]- 222.07718 156.4
[M+CH3COO]- 236.09283 174.5
[M+Na-2H]- 198.05365 142.8
[M]+ 177.07843 135.1
[M]- 177.07953 135.1
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.