CID 92301

Ipsdienol

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=C[C@H](CC(=C)C=C)O)C
InChI
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3/t10-/m1/s1
InChIKey
NHMKYUHMPXBMFI-SNVBAGLBSA-N
Compound name
(4S)-2-methyl-6-methylideneocta-2,7-dien-4-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

4557
Patents

152.12012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 136.9
[M+Na]+ 175.109338 142.4
[M-H]- 151.112844 135.5
[M+NH4]+ 170.153943 157.4
[M+K]+ 191.083278 140.3
[M+H-H2O]+ 135.117380 132.7
[M+HCOO]- 197.118321 155.8
[M+CH3COO]- 211.133971 177.7
[M+Na-2H]- 173.094786 137.7
[M]+ 152.11957142 135.1
[M]- 152.12066858 135.1
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