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]+ 129.127396 130.0
[M+Na]+ 151.109338 136.8
[M-H]- 127.112844 129.0
[M+NH4]+ 146.153943 151.9
[M+K]+ 167.083278 135.5
[M+H-H2O]+ 111.117380 126.4
[M+HCOO]- 173.118321 150.6
[M+CH3COO]- 187.133971 171.9
[M+Na-2H]- 149.094786 136.3
[M]+ 128.11957142 130.5
[M]- 128.12066858 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.