CID 22935677

Methionylglutamine

Structural Information

Molecular Formula
C10H19N3O4S
SMILES
CSCCC(C(=O)NC(CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-7(10(16)17)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKey
MUMXFARPYQTTSL-UHFFFAOYSA-N
Compound name
5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

709
Patents

277.10962 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11690 164.8
[M+Na]+ 300.09884 166.0
[M-H]- 276.10234 161.5
[M+NH4]+ 295.14344 178.1
[M+K]+ 316.07278 164.6
[M+H-H2O]+ 260.10688 157.4
[M+HCOO]- 322.10782 178.0
[M+CH3COO]- 336.12347 204.0
[M+Na-2H]- 298.08429 159.6
[M]+ 277.10907 163.3
[M]- 277.11017 163.3
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