CID 18955245

128119-70-0

Structural Information

Molecular Formula
C14H26O2
SMILES
CC(CO)COC1CC2CCC1(C2(C)C)C
InChI
InChI=1S/C14H26O2/c1-10(8-15)9-16-12-7-11-5-6-14(12,4)13(11,2)3/h10-12,15H,5-9H2,1-4H3
InChIKey
YCOHHRPARVZBHK-UHFFFAOYSA-N
Compound name
2-methyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

569
Patents

226.19328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 157.5
[M+Na]+ 249.182498 164.4
[M-H]- 225.186004 158.9
[M+NH4]+ 244.227103 184.5
[M+K]+ 265.156438 161.7
[M+H-H2O]+ 209.190540 154.9
[M+HCOO]- 271.191481 174.9
[M+CH3COO]- 285.207131 190.3
[M+Na-2H]- 247.167946 159.0
[M]+ 226.19273142 158.8
[M]- 226.19382858 158.8
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