CID 6475736

Ala-fmdp

Structural Information

Molecular Formula
C11H17N3O6
SMILES
C[C@@H](C(=O)NC(CNC(=O)/C=C/C(=O)OC)C(=O)O)N
InChI
InChI=1S/C11H17N3O6/c1-6(12)10(17)14-7(11(18)19)5-13-8(15)3-4-9(16)20-2/h3-4,6-7H,5,12H2,1-2H3,(H,13,15)(H,14,17)(H,18,19)/b4-3+/t6-,7?/m0/s1
InChIKey
FYTQCODELWEUGB-JNBLPZDZSA-N
Compound name
2-[[(2S)-2-aminopropanoyl]amino]-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

287.11172 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11900 165.3
[M+Na]+ 310.10094 167.2
[M-H]- 286.10444 163.0
[M+NH4]+ 305.14554 178.1
[M+K]+ 326.07488 168.2
[M+H-H2O]+ 270.10898 158.2
[M+HCOO]- 332.10992 184.7
[M+CH3COO]- 346.12557 205.8
[M+Na-2H]- 308.08639 161.7
[M]+ 287.11117 163.8
[M]- 287.11227 163.8
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.