CID 46209781

Neroplomacrol

Structural Information

Molecular Formula
C15H26O2
SMILES
C/C/1=C/CCC(OC(CC1)C(C)(C)O)(C)C=C
InChI
InChI=1S/C15H26O2/c1-6-15(5)11-7-8-12(2)9-10-13(17-15)14(3,4)16/h6,8,13,16H,1,7,9-11H2,2-5H3/b12-8-
InChIKey
LWYUSWLRBKNRLB-WQLSENKSSA-N
Compound name
2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.19328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 191.6
[M+Na]+ 261.18250 194.1
[M-H]- 237.18600 191.9
[M+NH4]+ 256.22710 192.1
[M+K]+ 277.15644 191.8
[M+H-H2O]+ 221.19054 183.6
[M+HCOO]- 283.19148 192.8
[M+CH3COO]- 297.20713 193.5
[M+Na-2H]- 259.16795 194.5
[M]+ 238.19273 192.3
[M]- 238.19383 192.3
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.