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 125.1
[M+Na]+ 161.09368 135.1
[M+NH4]+ 156.13828 132.8
[M+K]+ 177.06762 125.2
[M-H]- 137.09718 118.2
[M+Na-2H]- 159.07913 129.5
[M]+ 138.10391 123.9
[M]- 138.10501 123.9
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.