CID 112162

Einecs 274-139-2

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(C2CCC1C(C2)C3CCCCC3O)C
InChI
InChI=1S/C15H26O/c1-15(2)10-7-8-13(15)12(9-10)11-5-3-4-6-14(11)16/h10-14,16H,3-9H2,1-2H3
InChIKey
QXPIZWAQIIGDDU-UHFFFAOYSA-N
Compound name
2-(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 157.2
[M+Na]+ 245.187578 162.3
[M-H]- 221.191084 161.1
[M+NH4]+ 240.232183 182.2
[M+K]+ 261.161518 158.2
[M+H-H2O]+ 205.195620 152.9
[M+HCOO]- 267.196561 172.3
[M+CH3COO]- 281.212211 168.3
[M+Na-2H]- 243.173026 156.1
[M]+ 222.19781142 151.2
[M]- 222.19890858 151.2
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.