CID 96407

4-methyleneglutamic acid

Structural Information

Molecular Formula
C6H9NO4
SMILES
C=C(CC(C(=O)O)N)C(=O)O
InChI
InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)
InChIKey
RCCMXKJGURLWPB-UHFFFAOYSA-N
Compound name
2-amino-4-methylidenepentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

1081
Patents

159.05316 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 133.0
[M+Na]+ 182.04238 138.4
[M-H]- 158.04588 130.1
[M+NH4]+ 177.08698 151.3
[M+K]+ 198.01632 137.9
[M+H-H2O]+ 142.05042 128.3
[M+HCOO]- 204.05136 151.7
[M+CH3COO]- 218.06701 175.4
[M+Na-2H]- 180.02783 133.0
[M]+ 159.05261 129.6
[M]- 159.05371 129.6
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.