CID 70271

2-cyclohexylideneethanol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CCC(=CCO)CC1
InChI
InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h6,9H,1-5,7H2
InChIKey
STMMZXSFWVMHSA-UHFFFAOYSA-N
Compound name
2-cyclohexylideneethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

126.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.0
[M+Na]+ 149.09368 132.6
[M-H]- 125.09718 129.3
[M+NH4]+ 144.13828 149.2
[M+K]+ 165.06762 130.7
[M+H-H2O]+ 109.10172 123.0
[M+HCOO]- 171.10266 147.4
[M+CH3COO]- 185.11831 167.2
[M+Na-2H]- 147.07913 133.2
[M]+ 126.10391 121.9
[M]- 126.10501 121.9
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