CID 140133

2-methylhex-5-en-2-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)(CCC=C)O
InChI
InChI=1S/C7H14O/c1-4-5-6-7(2,3)8/h4,8H,1,5-6H2,2-3H3
InChIKey
RVHXDRXNRJQLGG-UHFFFAOYSA-N
Compound name
2-methylhex-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

114.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 125.5
[M+Na]+ 137.09368 135.6
[M+NH4]+ 132.13828 133.4
[M+K]+ 153.06762 130.4
[M-H]- 113.09718 124.2
[M+Na-2H]- 135.07913 129.2
[M]+ 114.10391 126.4
[M]- 114.10501 126.4
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