CID 79862932

1-ethynyl-2,2-dimethylcyclopentan-1-ol

Structural Information

Molecular Formula
C9H14O
SMILES
CC1(CCCC1(C#C)O)C
InChI
InChI=1S/C9H14O/c1-4-9(10)7-5-6-8(9,2)3/h1,10H,5-7H2,2-3H3
InChIKey
SQDZHTMLTOQJIU-UHFFFAOYSA-N
Compound name
1-ethynyl-2,2-dimethylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 130.2
[M+Na]+ 161.09368 141.5
[M-H]- 137.09718 132.2
[M+NH4]+ 156.13828 154.6
[M+K]+ 177.06762 136.4
[M+H-H2O]+ 121.10172 121.5
[M+HCOO]- 183.10266 146.3
[M+CH3COO]- 197.11831 179.7
[M+Na-2H]- 159.07913 135.1
[M]+ 138.10391 123.2
[M]- 138.10501 123.2
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.