CID 12579098

3,3-dimethylpent-4-en-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)(CCO)C=C
InChI
InChI=1S/C7H14O/c1-4-7(2,3)5-6-8/h4,8H,1,5-6H2,2-3H3
InChIKey
GJLNFUBRNHEACO-UHFFFAOYSA-N
Compound name
3,3-dimethylpent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

114.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 125.4
[M+Na]+ 137.09368 132.6
[M-H]- 113.09718 124.5
[M+NH4]+ 132.13828 147.8
[M+K]+ 153.06762 131.5
[M+H-H2O]+ 97.101720 122.0
[M+HCOO]- 159.10266 146.3
[M+CH3COO]- 173.11831 168.9
[M+Na-2H]- 135.07913 132.2
[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