CID 111439

Einecs 272-981-5

Structural Information

Molecular Formula
C17H30O2
SMILES
CC1(C2CCC1(C(C2)C3CCC(C(C3)OC)O)C)C
InChI
InChI=1S/C17H30O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-14(18)15(9-11)19-4/h11-15,18H,5-10H2,1-4H3
InChIKey
QYJBELHRBOPNBJ-UHFFFAOYSA-N
Compound name
2-methoxy-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 167.0
[M+Na]+ 289.21380 173.1
[M-H]- 265.21730 171.2
[M+NH4]+ 284.25840 192.4
[M+K]+ 305.18774 169.0
[M+H-H2O]+ 249.22184 163.3
[M+HCOO]- 311.22278 181.5
[M+CH3COO]- 325.23843 197.4
[M+Na-2H]- 287.19925 165.8
[M]+ 266.22403 164.0
[M]- 266.22513 164.0
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.