CID 12386475

Cis-2-ethynylcyclopentanol

Structural Information

Molecular Formula
C7H10O
SMILES
C#C[C@H]1CCC[C@H]1O
InChI
InChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h1,6-8H,3-5H2/t6-,7+/m0/s1
InChIKey
JRZIIUSKYKGRDH-NKWVEPMBSA-N
Compound name
(1R,2R)-2-ethynylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

110.073166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 123.0
[M+Na]+ 133.06238 132.7
[M-H]- 109.06589 124.1
[M+NH4]+ 128.10699 144.5
[M+K]+ 149.03632 129.2
[M+H-H2O]+ 93.070426 112.6
[M+HCOO]- 155.07137 139.4
[M+CH3COO]- 169.08702 174.8
[M+Na-2H]- 131.04783 126.4
[M]+ 110.07262 114.5
[M]- 110.07371 114.5
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.