CID 70914

N-acetyl-l-glutamic acid

Structural Information

Molecular Formula
C7H11NO5
SMILES
CC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey
RFMMMVDNIPUKGG-YFKPBYRVSA-N
Compound name
(2S)-2-acetamidopentanedioic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

368
References

7216
Patents

189.06372 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07100 139.6
[M+Na]+ 212.05294 144.4
[M-H]- 188.05644 137.0
[M+NH4]+ 207.09754 156.9
[M+K]+ 228.02688 144.7
[M+H-H2O]+ 172.06098 134.4
[M+HCOO]- 234.06192 158.8
[M+CH3COO]- 248.07757 180.5
[M+Na-2H]- 210.03839 140.3
[M]+ 189.06317 139.0
[M]- 189.06427 139.0
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