CID 54238126

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

Structural Information

Molecular Formula
C8H14O
SMILES
C=CCC1(CCC1)CO
InChI
InChI=1S/C8H14O/c1-2-4-8(7-9)5-3-6-8/h2,9H,1,3-7H2
InChIKey
QOAMPRGRKQXSAC-UHFFFAOYSA-N
Compound name
(1-prop-2-enylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.3
[M+Na]+ 149.09368 132.9
[M-H]- 125.09718 129.6
[M+NH4]+ 144.13828 144.3
[M+K]+ 165.06762 134.1
[M+H-H2O]+ 109.10172 119.1
[M+HCOO]- 171.10266 147.8
[M+CH3COO]- 185.11831 172.9
[M+Na-2H]- 147.07913 133.7
[M]+ 126.10391 134.3
[M]- 126.10501 134.3
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.