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

literature stripe

Patent stripe

patents stripe