CID 6436627

Ocimen quintoxide

Structural Information

Molecular Formula
C10H18O
SMILES
C/C=C(/C)\C1CCC(O1)(C)C
InChI
InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5-
InChIKey
LPEYLSKLVYWOEQ-YVMONPNESA-N
Compound name
5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

257
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 134.9
[M+Na]+ 177.12499 141.8
[M-H]- 153.12849 139.0
[M+NH4]+ 172.16959 158.7
[M+K]+ 193.09893 141.7
[M+H-H2O]+ 137.13303 131.1
[M+HCOO]- 199.13397 155.4
[M+CH3COO]- 213.14962 177.2
[M+Na-2H]- 175.11044 138.7
[M]+ 154.13522 134.2
[M]- 154.13632 134.2
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

patents stripe