CID 79926

2,2,4-trimethylpent-3-en-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

128.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 130.0
[M+Na]+ 151.109338 136.7
[M-H]- 127.112844 129.1
[M+NH4]+ 146.153943 151.9
[M+K]+ 167.083278 135.8
[M+H-H2O]+ 111.117380 126.5
[M+HCOO]- 173.118321 149.6
[M+CH3COO]- 187.133971 172.1
[M+Na-2H]- 149.094786 135.0
[M]+ 128.11957142 129.7
[M]- 128.12066858 129.7
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