CID 11029845

2-cyclohexen-1-one, 2-(hydroxymethyl)-

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC=C(C(=O)C1)CO
InChI
InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h3,8H,1-2,4-5H2
InChIKey
QMDIIXACBPZLCK-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

126.06808 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.3
[M+Na]+ 149.05730 135.8
[M+NH4]+ 144.10190 133.0
[M+K]+ 165.03124 130.0
[M-H]- 125.06080 125.7
[M+Na-2H]- 147.04275 130.0
[M]+ 126.06753 126.1
[M]- 126.06863 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe