CID 22714300

1-ethynylcyclopropan-1-ol

Structural Information

Molecular Formula
C5H6O
SMILES
C#CC1(CC1)O
InChI
InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2
InChIKey
QPACLFFIDGQFRT-UHFFFAOYSA-N
Compound name
1-ethynylcyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

82.04186 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 111.9
[M+Na]+ 105.03108 128.5
[M-H]- 81.034584 117.0
[M+NH4]+ 100.07568 132.0
[M+K]+ 121.00502 123.2
[M+H-H2O]+ 65.039120 105.1
[M+HCOO]- 127.04006 131.4
[M+CH3COO]- 141.05571 174.0
[M+Na-2H]- 103.01653 121.8
[M]+ 82.041311 110.2
[M]- 82.042409 110.2
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.