CID 5366252

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

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)/C(=C/CO)/C
InChI
InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h4,6,8H,5H2,1-3H3/b7-4+
InChIKey
UFZFIJQVBUIVBK-QPJJXVBHSA-N
Compound name
(E)-3,4-dimethylpent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 126.2
[M+Na]+ 137.09368 135.9
[M+NH4]+ 132.13828 134.0
[M+K]+ 153.06762 131.1
[M-H]- 113.09718 125.1
[M+Na-2H]- 135.07913 129.2
[M]+ 114.10391 127.0
[M]- 114.10501 127.0
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

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