CID 71587598

Nerolidol oxide i

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=CCCC(C)([C@H]1CC[C@@](O1)(C)C=C)O)C
InChI
InChI=1S/C15H26O2/c1-6-14(4)11-9-13(17-14)15(5,16)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3/t13-,14-,15?/m1/s1
InChIKey
OIVTVPOJCWXSIC-GRKKQISMSA-N
Compound name
2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 159.4
[M+Na]+ 261.182498 164.4
[M-H]- 237.186004 161.4
[M+NH4]+ 256.227103 179.1
[M+K]+ 277.156438 162.5
[M+H-H2O]+ 221.190540 155.8
[M+HCOO]- 283.191481 175.6
[M+CH3COO]- 297.207131 191.1
[M+Na-2H]- 259.167946 161.2
[M]+ 238.19273142 159.0
[M]- 238.19382858 159.0
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.