CID 3018032

3-ethyl-2-methylpent-4-en-2-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CCC(C=C)C(C)(C)O
InChI
InChI=1S/C8H16O/c1-5-7(6-2)8(3,4)9/h5,7,9H,1,6H2,2-4H3
InChIKey
QLZRBRNPJYJRDB-UHFFFAOYSA-N
Compound name
3-ethyl-2-methylpent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 129.8
[M+Na]+ 151.109338 136.4
[M-H]- 127.112844 128.9
[M+NH4]+ 146.153943 151.6
[M+K]+ 167.083278 135.5
[M+H-H2O]+ 111.117380 126.3
[M+HCOO]- 173.118321 149.4
[M+CH3COO]- 187.133971 172.7
[M+Na-2H]- 149.094786 134.9
[M]+ 128.11957142 129.6
[M]- 128.12066858 129.6
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.