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
trans-(1S,3R)-3-ethoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.13615 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 149.2
[M+Na]+ 251.125368 156.5
[M-H]- 227.128874 151.6
[M+NH4]+ 246.169973 172.6
[M+K]+ 267.099308 155.8
[M+H-H2O]+ 211.133410 146.7
[M+HCOO]- 273.134351 168.3
[M+CH3COO]- 287.150001 187.7
[M+Na-2H]- 249.110816 150.7
[M]+ 228.13560142 150.8
[M]- 228.13669858 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.