CID 9877698

Rfipouqjeuuicq-wjxvxwfnsa-k

Structural Information

Molecular Formula
C7H11NO6
SMILES
C(CN[C@@H](CC(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C7H11NO6/c9-5(10)1-2-8-4(7(13)14)3-6(11)12/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChIKey
AINPCLWBWFSAQV-BYPYZUCNSA-N
Compound name
(2S)-2-(2-carboxyethylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

205.05864 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06592 142.0
[M+Na]+ 228.04786 146.2
[M-H]- 204.05136 137.9
[M+NH4]+ 223.09246 157.8
[M+K]+ 244.02180 146.2
[M+H-H2O]+ 188.05590 136.7
[M+HCOO]- 250.05684 159.9
[M+CH3COO]- 264.07249 181.1
[M+Na-2H]- 226.03331 142.3
[M]+ 205.05809 141.0
[M]- 205.05919 141.0
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