CID 3035286

Bismuth ethyl camphorate

Structural Information

Molecular Formula
C12H20O4
SMILES
CCOC(=O)[C@@]1(CC[C@@H](C1(C)C)C(=O)O)C
InChI
InChI=1S/C12H20O4/c1-5-16-10(15)12(4)7-6-8(9(13)14)11(12,2)3/h8H,5-7H2,1-4H3,(H,13,14)/t8-,12+/m1/s1
InChIKey
CQSCQEZTELRSRG-PELKAZGASA-N
Compound name
(1S,3R)-3-ethoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

228.13615 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 149.2
[M+Na]+ 251.12537 156.5
[M-H]- 227.12887 151.6
[M+NH4]+ 246.16997 172.6
[M+K]+ 267.09931 155.8
[M+H-H2O]+ 211.13341 146.7
[M+HCOO]- 273.13435 168.3
[M+CH3COO]- 287.15000 187.7
[M+Na-2H]- 249.11082 150.7
[M]+ 228.13560 150.8
[M]- 228.13670 150.8
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.