CID 137952140

2-(3-methylidenecyclobutyl)ethan-1-ol

Structural Information

Molecular Formula
C7H12O
SMILES
C=C1CC(C1)CCO
InChI
InChI=1S/C7H12O/c1-6-4-7(5-6)2-3-8/h7-8H,1-5H2
InChIKey
GDICASBXSIWYSB-UHFFFAOYSA-N
Compound name
2-(3-methylidenecyclobutyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.08881 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 121.0
[M+Na]+ 135.07803 127.0
[M-H]- 111.08153 123.3
[M+NH4]+ 130.12263 136.9
[M+K]+ 151.05197 128.5
[M+H-H2O]+ 95.086070 111.9
[M+HCOO]- 157.08701 141.8
[M+CH3COO]- 171.10266 171.5
[M+Na-2H]- 133.06348 126.3
[M]+ 112.08826 127.7
[M]- 112.08936 127.7
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.