CID 179652

1-(2-hydroxypropan-2-yl)-4-methylcyclohex-3-en-1-ol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1=CCC(CC1)(C(C)(C)O)O
InChI
InChI=1S/C10H18O2/c1-8-4-6-10(12,7-5-8)9(2,3)11/h4,11-12H,5-7H2,1-3H3
InChIKey
NATYWEGXDILEEH-UHFFFAOYSA-N
Compound name
1-(2-hydroxypropan-2-yl)-4-methylcyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

170.13068 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 138.7
[M+Na]+ 193.119898 145.1
[M-H]- 169.123404 139.6
[M+NH4]+ 188.164503 160.1
[M+K]+ 209.093838 143.3
[M+H-H2O]+ 153.127940 135.2
[M+HCOO]- 215.128881 155.9
[M+CH3COO]- 229.144531 174.9
[M+Na-2H]- 191.105346 144.7
[M]+ 170.13013142 135.5
[M]- 170.13122858 135.5
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