CID 133065488

Einecs 277-400-9

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)C1CC=C(CC1O)CCO
InChI
InChI=1S/C11H20O2/c1-8(2)10-4-3-9(5-6-12)7-11(10)13/h3,8,10-13H,4-7H2,1-2H3
InChIKey
HPEKLICXTZYQBD-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 143.7
[M+Na]+ 207.135548 149.0
[M-H]- 183.139054 144.2
[M+NH4]+ 202.180153 162.6
[M+K]+ 223.109488 146.8
[M+H-H2O]+ 167.143590 138.7
[M+HCOO]- 229.144531 161.1
[M+CH3COO]- 243.160181 180.1
[M+Na-2H]- 205.120996 145.2
[M]+ 184.14578142 140.8
[M]- 184.14687858 140.8
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.