CID 71757256

[1-(prop-2-yn-1-yl)cyclobutyl]methanol

Structural Information

Molecular Formula
C8H12O
SMILES
C#CCC1(CCC1)CO
InChI
InChI=1S/C8H12O/c1-2-4-8(7-9)5-3-6-8/h1,9H,3-7H2
InChIKey
HURPPLVIYXNRIC-UHFFFAOYSA-N
Compound name
(1-prop-2-ynylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 122.1
[M+Na]+ 147.07803 130.3
[M-H]- 123.08153 123.9
[M+NH4]+ 142.12263 137.6
[M+K]+ 163.05197 130.9
[M+H-H2O]+ 107.08607 108.9
[M+HCOO]- 169.08701 137.6
[M+CH3COO]- 183.10266 181.3
[M+Na-2H]- 145.06348 128.4
[M]+ 124.08826 123.7
[M]- 124.08936 123.7
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

No patent data available for this compound.