CID 44147861

Einecs 286-899-2

Structural Information

Molecular Formula
C15H28O
SMILES
CCC(CCC1C2CCC(C2)C1(C)C)CO
InChI
InChI=1S/C15H28O/c1-4-11(10-16)5-8-14-12-6-7-13(9-12)15(14,2)3/h11-14,16H,4-10H2,1-3H3
InChIKey
HGECOPUKOWSQTP-UHFFFAOYSA-N
Compound name
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 161.0
[M+Na]+ 247.20324 166.5
[M-H]- 223.20674 161.9
[M+NH4]+ 242.24784 186.1
[M+K]+ 263.17718 163.1
[M+H-H2O]+ 207.21128 157.4
[M+HCOO]- 269.21222 177.8
[M+CH3COO]- 283.22787 191.6
[M+Na-2H]- 245.18869 160.3
[M]+ 224.21347 160.7
[M]- 224.21457 160.7
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.