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

205
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

literature stripe

Patent stripe

patents stripe