CID 58908932

1-(prop-2-en-1-yl)cyclobutan-1-ol

Structural Information

Molecular Formula
C7H12O
SMILES
C=CCC1(CCC1)O
InChI
InChI=1S/C7H12O/c1-2-4-7(8)5-3-6-7/h2,8H,1,3-6H2
InChIKey
GSYZJHHTZVBSQU-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 122.7
[M+Na]+ 135.07803 128.7
[M-H]- 111.08153 125.2
[M+NH4]+ 130.12263 140.3
[M+K]+ 151.05197 130.1
[M+H-H2O]+ 95.086070 114.6
[M+HCOO]- 157.08701 143.5
[M+CH3COO]- 171.10266 170.0
[M+Na-2H]- 133.06348 129.7
[M]+ 112.08826 129.3
[M]- 112.08936 129.3
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