CID 3084767

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

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)C(C)(C=C)O
InChI
InChI=1S/C7H14O/c1-5-7(4,8)6(2)3/h5-6,8H,1H2,2-4H3
InChIKey
PGFSFOKKOCLHFQ-UHFFFAOYSA-N
Compound name
3,4-dimethylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

114.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 125.1
[M+Na]+ 137.09368 132.1
[M-H]- 113.09718 124.3
[M+NH4]+ 132.13828 147.5
[M+K]+ 153.06762 131.5
[M+H-H2O]+ 97.101720 121.8
[M+HCOO]- 159.10266 145.0
[M+CH3COO]- 173.11831 169.7
[M+Na-2H]- 135.07913 130.7
[M]+ 114.10391 124.5
[M]- 114.10501 124.5
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