CID 126972063

2-ethyl-2-methylpent-4-en-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CCC(C)(CC=C)CO
InChI
InChI=1S/C8H16O/c1-4-6-8(3,5-2)7-9/h4,9H,1,5-7H2,2-3H3
InChIKey
SUJYQVIBYHNWLZ-UHFFFAOYSA-N
Compound name
2-ethyl-2-methylpent-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 130.0
[M+Na]+ 151.10934 136.8
[M-H]- 127.11284 129.0
[M+NH4]+ 146.15394 151.9
[M+K]+ 167.08328 135.5
[M+H-H2O]+ 111.11738 126.4
[M+HCOO]- 173.11832 150.6
[M+CH3COO]- 187.13397 171.9
[M+Na-2H]- 149.09479 136.3
[M]+ 128.11957 130.5
[M]- 128.12067 130.5
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

No patent data available for this compound.