CID 5311079

Eglu

Structural Information

Molecular Formula
C7H13NO4
SMILES
CC[C@](CCC(=O)O)(C(=O)O)N
InChI
InChI=1S/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey
QFYBYZLHPIALCZ-ZETCQYMHSA-N
Compound name
(2S)-2-amino-2-ethylpentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

360
Patents

175.08446 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.091736 137.8
[M+Na]+ 198.073678 143.3
[M-H]- 174.077184 134.8
[M+NH4]+ 193.118283 155.8
[M+K]+ 214.047618 142.6
[M+H-H2O]+ 158.081720 133.4
[M+HCOO]- 220.082661 156.4
[M+CH3COO]- 234.098311 177.6
[M+Na-2H]- 196.059126 140.7
[M]+ 175.08391142 136.3
[M]- 175.08500858 136.3
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.