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]+ 160.060436 133.0
[M+Na]+ 182.042378 138.4
[M-H]- 158.045884 130.1
[M+NH4]+ 177.086983 151.3
[M+K]+ 198.016318 137.9
[M+H-H2O]+ 142.050420 128.3
[M+HCOO]- 204.051361 151.7
[M+CH3COO]- 218.067011 175.4
[M+Na-2H]- 180.027826 133.0
[M]+ 159.05261142 129.6
[M]- 159.05370858 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

literature stripe

Patent stripe

patents stripe