CID 6449789

Ethanol, 2-(3,3-dimethylcyclohexylidene)-, (2e)-

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

1330
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

literature stripe

Patent stripe

patents stripe