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

37
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 250.2
[M+Na]+ 562.48055 253.8
[M+NH4]+ 557.52515 251.6
[M+K]+ 578.45449 252.0
[M-H]- 538.48405 238.3
[M+Na-2H]- 560.46600 250.7
[M]+ 539.49078 247.5
[M]- 539.49188 247.5
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

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