CID 12673112

3778-92-5

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

C/C=C(\C)/C(C)CO

InChI

InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h4,7-8H,5H2,1-3H3/b6-4+

InChIKey

LLZSFWXLMHONIT-GQCTYLIASA-N

Compound name

(E)-2,3-dimethylpent-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 114.10446 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	115.11174	126.4
[M+Na]+	137.09368	132.8
[M-H]-	113.09718	125.4
[M+NH4]+	132.13828	148.6
[M+K]+	153.06762	132.2
[M+H-H2O]+	97.101720	122.5
[M+HCOO]-	159.10266	146.9
[M+CH3COO]-	173.11831	169.6
[M+Na-2H]-	135.07913	130.0
[M]+	114.10391	125.5
[M]-	114.10501	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe