CID 117301

Bisabolol oxide b

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1=CCC(CC1)C2(CCC(O2)C(C)(C)O)C
InChI
InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3
InChIKey
RKBAYVATPNYHLW-UHFFFAOYSA-N
Compound name
2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

87
Patents

238.19328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 157.3
[M+Na]+ 261.18250 162.2
[M-H]- 237.18600 162.6
[M+NH4]+ 256.22710 176.9
[M+K]+ 277.15644 160.8
[M+H-H2O]+ 221.19054 152.7
[M+HCOO]- 283.19148 172.8
[M+CH3COO]- 297.20713 190.1
[M+Na-2H]- 259.16795 159.8
[M]+ 238.19273 154.1
[M]- 238.19383 154.1
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