CID 530403

2,3-epoxy-3,7-dimethyloct-6-enol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(=CCCC1(C(O1)CO)C)C
InChI
InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3
InChIKey
RZRBXGPSHVAUQO-UHFFFAOYSA-N
Compound name
[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

411
Patents

170.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.4
[M+Na]+ 193.11990 151.0
[M+NH4]+ 188.16450 148.7
[M+K]+ 209.09384 145.8
[M-H]- 169.12340 147.8
[M+Na-2H]- 191.10535 146.5
[M]+ 170.13013 144.6
[M]- 170.13123 144.6
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