CID 5368945

4-methyl-4-hepten-3-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC/C=C(\C)/C(CC)O
InChI
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h6,8-9H,4-5H2,1-3H3/b7-6+
InChIKey
CVBRKUMLJLIZGY-VOTSOKGWSA-N
Compound name
(E)-4-methylhept-4-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

128.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 130.6
[M+Na]+ 151.10934 140.2
[M+NH4]+ 146.15394 138.3
[M+K]+ 167.08328 135.1
[M-H]- 127.11284 129.5
[M+Na-2H]- 149.09479 133.3
[M]+ 128.11957 131.4
[M]- 128.12067 131.4
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