CID 22421013

(4-ethynylcyclohexyl)methanol

Structural Information

Molecular Formula
C9H14O
SMILES
C#CC1CCC(CC1)CO
InChI
InChI=1S/C9H14O/c1-2-8-3-5-9(7-10)6-4-8/h1,8-10H,3-7H2
InChIKey
LHNVWCNLKADYSZ-UHFFFAOYSA-N
Compound name
(4-ethynylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

138.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 129.4
[M+Na]+ 161.09368 137.6
[M-H]- 137.09718 130.3
[M+NH4]+ 156.13828 148.4
[M+K]+ 177.06762 133.7
[M+H-H2O]+ 121.10172 119.0
[M+HCOO]- 183.10266 143.4
[M+CH3COO]- 197.11831 180.4
[M+Na-2H]- 159.07913 133.2
[M]+ 138.10391 119.8
[M]- 138.10501 119.8
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

patents stripe