CID 12869978

4-methyl-3-methylidenepentan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)C(=C)CCO
InChI
InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h6,8H,3-5H2,1-2H3
InChIKey
XECQOLIOBNMTQA-UHFFFAOYSA-N
Compound name
4-methyl-3-methylidenepentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 126.2
[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

literature stripe

Patent stripe

patents stripe