CID 356453

Nsc612216

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1CCC(CC1)(CC2=CC(=O)NC3=CC=CC=C32)O
InChI
InChI=1S/C16H19NO2/c18-15-10-12(11-16(19)8-4-1-5-9-16)13-6-2-3-7-14(13)17-15/h2-3,6-7,10,19H,1,4-5,8-9,11H2,(H,17,18)
InChIKey
YWOYKKWLTGXFFC-UHFFFAOYSA-N
Compound name
4-[(1-hydroxycyclohexyl)methyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.9
[M+Na]+ 280.13079 166.3
[M-H]- 256.13429 162.9
[M+NH4]+ 275.17539 176.7
[M+K]+ 296.10473 160.6
[M+H-H2O]+ 240.13883 152.0
[M+HCOO]- 302.13977 175.3
[M+CH3COO]- 316.15542 170.1
[M+Na-2H]- 278.11624 165.7
[M]+ 257.14102 154.2
[M]- 257.14212 154.2
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.