CID 22310

Linalool oxide

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

55
References

7601
Patents

170.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 137.5
[M+Na]+ 193.11990 144.5
[M-H]- 169.12340 140.3
[M+NH4]+ 188.16450 160.0
[M+K]+ 209.09384 144.0
[M+H-H2O]+ 153.12794 134.5
[M+HCOO]- 215.12888 156.2
[M+CH3COO]- 229.14453 176.6
[M+Na-2H]- 191.10535 143.2
[M]+ 170.13013 136.8
[M]- 170.13123 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.