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
2
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]+ 223.20564 157.2
[M+Na]+ 245.18758 162.3
[M-H]- 221.19108 161.1
[M+NH4]+ 240.23218 182.2
[M+K]+ 261.16152 158.2
[M+H-H2O]+ 205.19562 152.9
[M+HCOO]- 267.19656 172.3
[M+CH3COO]- 281.21221 168.3
[M+Na-2H]- 243.17303 156.1
[M]+ 222.19781 151.2
[M]- 222.19891 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.