CID 13342183

4-(hydroxymethyl)-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1C(C2=CC=CC=C2NC1=O)CO
InChI
InChI=1S/C10H11NO2/c12-6-7-5-10(13)11-9-4-2-1-3-8(7)9/h1-4,7,12H,5-6H2,(H,11,13)
InChIKey
SWTFSZCELPFVIJ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.1
[M+Na]+ 200.06820 143.8
[M-H]- 176.07170 136.5
[M+NH4]+ 195.11280 154.8
[M+K]+ 216.04214 139.8
[M+H-H2O]+ 160.07624 130.2
[M+HCOO]- 222.07718 153.7
[M+CH3COO]- 236.09283 175.4
[M+Na-2H]- 198.05365 142.8
[M]+ 177.07843 132.1
[M]- 177.07953 132.1
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.