CID 33032

L-glutamic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
C(CC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
WHUUTDBJXJRKMK-VKHMYHEASA-N
Compound name
(2S)-2-aminopentanedioic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

80232
References

346889
Patents

147.05316 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.060436 129.8
[M+Na]+ 170.042378 135.4
[M-H]- 146.045884 126.9
[M+NH4]+ 165.086983 148.7
[M+K]+ 186.016318 135.3
[M+H-H2O]+ 130.050420 124.9
[M+HCOO]- 192.051361 149.5
[M+CH3COO]- 206.067011 172.2
[M+Na-2H]- 168.027826 131.5
[M]+ 147.05261142 127.3
[M]- 147.05370858 127.3
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