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

12
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 123.1
[M+Na]+ 135.078028 127.9
[M-H]- 111.081534 125.1
[M+NH4]+ 130.122633 138.5
[M+K]+ 151.051968 129.8
[M+H-H2O]+ 95.086070 113.6
[M+HCOO]- 157.087011 142.9
[M+CH3COO]- 171.102661 171.2
[M+Na-2H]- 133.063476 127.7
[M]+ 112.08826142 128.7
[M]- 112.08935858 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