CID 11083859

2-cyclohexene-1-methanol

Structural Information

Molecular Formula
C7H12O
SMILES
C1CC=CC(C1)CO
InChI
InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h2,4,7-8H,1,3,5-6H2
InChIKey
TZTRNALMVOGNSM-UHFFFAOYSA-N
Compound name
cyclohex-2-en-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

536
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 122.3
[M+Na]+ 135.07803 128.1
[M-H]- 111.08153 124.1
[M+NH4]+ 130.12263 144.3
[M+K]+ 151.05197 126.8
[M+H-H2O]+ 95.086070 117.5
[M+HCOO]- 157.08701 143.4
[M+CH3COO]- 171.10266 165.3
[M+Na-2H]- 133.06348 129.2
[M]+ 112.08826 118.2
[M]- 112.08936 118.2
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