CID 80488149

1-cyclobutylprop-2-en-1-ol

Structural Information

Molecular Formula
C7H12O
SMILES
C=CC(C1CCC1)O
InChI
InChI=1S/C7H12O/c1-2-7(8)6-4-3-5-6/h2,6-8H,1,3-5H2
InChIKey
JIRMPIHVDNJVBC-UHFFFAOYSA-N
Compound name
1-cyclobutylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 123.1
[M+Na]+ 135.07803 127.9
[M-H]- 111.08153 125.1
[M+NH4]+ 130.12263 138.5
[M+K]+ 151.05197 129.8
[M+H-H2O]+ 95.086070 113.6
[M+HCOO]- 157.08701 142.9
[M+CH3COO]- 171.10266 171.2
[M+Na-2H]- 133.06348 127.7
[M]+ 112.08826 128.7
[M]- 112.08936 128.7
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

patents stripe