CID 3079349

L-glutamic acid, diteradecyl ester, hydrochloride

Structural Information

Molecular Formula
C33H65NO4
SMILES
CCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCC)N
InChI
InChI=1S/C33H65NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-32(35)28-27-31(34)33(36)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3/t31-/m0/s1
InChIKey
CRFSSMHIOMPWFK-HKBQPEDESA-N
Compound name
ditetradecyl (2S)-2-aminopentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

539.49133 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.49861 249.0
[M+Na]+ 562.48055 256.4
[M-H]- 538.48405 237.5
[M+NH4]+ 557.52515 250.6
[M+K]+ 578.45449 255.5
[M+H-H2O]+ 522.48859 248.9
[M+HCOO]- 584.48953 250.8
[M+CH3COO]- 598.50518 257.9
[M+Na-2H]- 560.46600 234.2
[M]+ 539.49078 246.4
[M]- 539.49188 246.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe