CID 343119

1-cyclopropylprop-2-yn-1-ol

Structural Information

Molecular Formula
C6H8O
SMILES
C#CC(C1CC1)O
InChI
InChI=1S/C6H8O/c1-2-6(7)5-3-4-5/h1,5-7H,3-4H2
InChIKey
NFQRIJRWUCDRPN-UHFFFAOYSA-N
Compound name
1-cyclopropylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

96.05752 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 119.6
[M+Na]+ 119.04674 131.2
[M+NH4]+ 114.09134 125.3
[M+K]+ 135.02068 124.9
[M-H]- 95.050244 119.0
[M+Na-2H]- 117.03219 124.4
[M]+ 96.056971 121.1
[M]- 96.058069 121.1
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