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]+ 125.096086 122.1
[M+Na]+ 147.078028 130.3
[M-H]- 123.081534 123.9
[M+NH4]+ 142.122633 137.6
[M+K]+ 163.051968 130.9
[M+H-H2O]+ 107.086070 108.9
[M+HCOO]- 169.087011 137.6
[M+CH3COO]- 183.102661 181.3
[M+Na-2H]- 145.063476 128.4
[M]+ 124.08826142 123.7
[M]- 124.08935858 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.