CID 50837

Camphoric acid, bis(2-(diethylamino)ethyl) ester, hydrochloride, d,l-

Structural Information

Molecular Formula
C22H42N2O4
SMILES
CCN(CC)CCOC(=O)C1CCC(C1(C)C)(C)C(=O)OCCN(CC)CC
InChI
InChI=1S/C22H42N2O4/c1-8-23(9-2)14-16-27-19(25)18-12-13-22(7,21(18,5)6)20(26)28-17-15-24(10-3)11-4/h18H,8-17H2,1-7H3
InChIKey
IXJKWMCCVACNBE-UHFFFAOYSA-N
Compound name
bis[2-(diethylamino)ethyl] 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.31445 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.32173 199.0
[M+Na]+ 421.30367 201.0
[M-H]- 397.30717 203.5
[M+NH4]+ 416.34827 216.7
[M+K]+ 437.27761 201.9
[M+H-H2O]+ 381.31171 193.8
[M+HCOO]- 443.31265 219.3
[M+CH3COO]- 457.32830 235.7
[M+Na-2H]- 419.28912 195.6
[M]+ 398.31390 206.9
[M]- 398.31500 206.9
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.