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

580
Patents

226.19328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 157.5
[M+Na]+ 249.18250 164.4
[M-H]- 225.18600 158.9
[M+NH4]+ 244.22710 184.5
[M+K]+ 265.15644 161.7
[M+H-H2O]+ 209.19054 154.9
[M+HCOO]- 271.19148 174.9
[M+CH3COO]- 285.20713 190.3
[M+Na-2H]- 247.16795 159.0
[M]+ 226.19273 158.8
[M]- 226.19383 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