CID 20829144

1-[1-(2,3-dimethylbicyclo[2.2.1]hept-2-yl)ethoxy]-2-propanol

Structural Information

Molecular Formula
C14H26O2
SMILES
CC1C2CCC(C2)C1(C)C(C)OCC(C)O
InChI
InChI=1S/C14H26O2/c1-9(15)8-16-11(3)14(4)10(2)12-5-6-13(14)7-12/h9-13,15H,5-8H2,1-4H3
InChIKey
GNLKEDIFSGQWMA-UHFFFAOYSA-N
Compound name
1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.19328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 159.8
[M+Na]+ 249.182498 165.3
[M-H]- 225.186004 160.9
[M+NH4]+ 244.227103 184.7
[M+K]+ 265.156438 163.2
[M+H-H2O]+ 209.190540 156.6
[M+HCOO]- 271.191481 176.1
[M+CH3COO]- 285.207131 191.5
[M+Na-2H]- 247.167946 158.7
[M]+ 226.19273142 160.0
[M]- 226.19382858 160.0
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

patents stripe