CID 529304

Refchem:1092641

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1(C(O1)CCC(C)(C=C)O)C
InChI
InChI=1S/C10H18O2/c1-5-10(4,11)7-6-8-9(2,3)12-8/h5,8,11H,1,6-7H2,2-4H3
InChIKey
SATQWIIUJKWZNO-UHFFFAOYSA-N
Compound name
5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

5496
Patents

170.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 137.7
[M+Na]+ 193.119898 147.2
[M-H]- 169.123404 142.2
[M+NH4]+ 188.164503 154.0
[M+K]+ 209.093838 146.5
[M+H-H2O]+ 153.127940 133.9
[M+HCOO]- 215.128881 156.9
[M+CH3COO]- 229.144531 182.4
[M+Na-2H]- 191.105346 145.3
[M]+ 170.13013142 143.1
[M]- 170.13122858 143.1
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