CID 3042304

L-glutamic acid, didodecyl ester, hydrochloride

Structural Information

Molecular Formula
C29H57NO4
SMILES
CCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCC)N
InChI
InChI=1S/C29H57NO4/c1-3-5-7-9-11-13-15-17-19-21-25-33-28(31)24-23-27(30)29(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3/t27-/m0/s1
InChIKey
DMTALGRGUIQVPJ-MHZLTWQESA-N
Compound name
didodecyl (2S)-2-aminopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

483.42877 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.43605 235.0
[M+Na]+ 506.41799 243.1
[M-H]- 482.42149 225.0
[M+NH4]+ 501.46259 236.7
[M+K]+ 522.39193 240.5
[M+H-H2O]+ 466.42603 235.4
[M+HCOO]- 528.42697 238.4
[M+CH3COO]- 542.44262 246.6
[M+Na-2H]- 504.40344 221.9
[M]+ 483.42822 232.6
[M]- 483.42932 232.6
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