CID 15556926

3-methyl-2-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/h6,8H,3-5H2,1-2H3
InChIKey
JAZBGTKYGJHMQJ-UHFFFAOYSA-N
Compound name
3-methyl-2-methylidenepentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

114.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 126.2
[M+Na]+ 137.09368 132.5
[M-H]- 113.09718 125.2
[M+NH4]+ 132.13828 148.3
[M+K]+ 153.06762 131.9
[M+H-H2O]+ 97.101720 122.2
[M+HCOO]- 159.10266 146.7
[M+CH3COO]- 173.11831 170.3
[M+Na-2H]- 135.07913 129.8
[M]+ 114.10391 125.4
[M]- 114.10501 125.4
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