CID 6449789

2-(3,3-dimethylcyclohexylidene)ethanol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1(CCC/C(=C\CO)/C1)C
InChI
InChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3/b9-5+
InChIKey
SHYLMMBHTKLAJS-WEVVVXLNSA-N
Compound name
(2E)-2-(3,3-dimethylcyclohexylidene)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

966
Patents

154.13577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.8
[M+Na]+ 177.12499 141.5
[M-H]- 153.12849 137.6
[M+NH4]+ 172.16959 158.4
[M+K]+ 193.09893 139.3
[M+H-H2O]+ 137.13303 131.6
[M+HCOO]- 199.13397 154.6
[M+CH3COO]- 213.14962 173.9
[M+Na-2H]- 175.11044 140.5
[M]+ 154.13522 131.2
[M]- 154.13632 131.2
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.