CID 345471

Nsc403112

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(C)C1CCC2(C13CCC(O3)(C(C2)O)C)C
InChI
InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3
InChIKey
VLIUMVVQGMLOJG-UHFFFAOYSA-N
Compound name
5,8-dimethyl-2-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

238.19328 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 157.7
[M+Na]+ 261.182498 164.4
[M-H]- 237.186004 161.0
[M+NH4]+ 256.227103 185.2
[M+K]+ 277.156438 162.0
[M+H-H2O]+ 221.190540 154.9
[M+HCOO]- 283.191481 170.9
[M+CH3COO]- 297.207131 191.5
[M+Na-2H]- 259.167946 160.5
[M]+ 238.19273142 156.2
[M]- 238.19382858 156.2
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