CID 12673111

2-methyl-3-methylidenepentan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CCC(=C)C(C)CO
InChI
InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h7-8H,2,4-5H2,1,3H3
InChIKey
BOESDISDPTWALM-UHFFFAOYSA-N
Compound name
2-methyl-3-methylidenepentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

114.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 126.0
[M+Na]+ 137.09368 135.8
[M+NH4]+ 132.13828 133.9
[M+K]+ 153.06762 130.9
[M-H]- 113.09718 125.0
[M+Na-2H]- 135.07913 129.0
[M]+ 114.10391 126.8
[M]- 114.10501 126.8
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