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]+ 227.20056 159.8
[M+Na]+ 249.18250 165.3
[M-H]- 225.18600 160.9
[M+NH4]+ 244.22710 184.7
[M+K]+ 265.15644 163.2
[M+H-H2O]+ 209.19054 156.6
[M+HCOO]- 271.19148 176.1
[M+CH3COO]- 285.20713 191.5
[M+Na-2H]- 247.16795 158.7
[M]+ 226.19273 160.0
[M]- 226.19383 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