CID 333467

Methionylasparagine

Structural Information

Molecular Formula
C9H17N3O4S
SMILES
CSCCC(C(=O)NC(CC(=O)N)C(=O)O)N
InChI
InChI=1S/C9H17N3O4S/c1-17-3-2-5(10)8(14)12-6(9(15)16)4-7(11)13/h5-6H,2-4,10H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKey
JMEWFDUAFKVAAT-UHFFFAOYSA-N
Compound name
4-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.09396 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10124 160.2
[M+Na]+ 286.08318 161.6
[M+NH4]+ 281.12778 163.1
[M+K]+ 302.05712 160.2
[M-H]- 262.08668 156.4
[M+Na-2H]- 284.06863 157.5
[M]+ 263.09341 158.7
[M]- 263.09451 158.7
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

patents stripe