CID 18218228

Mi dipeptide

Structural Information

Molecular Formula
C11H22N2O3S
SMILES
CCC(C)C(C(=O)O)NC(=O)C(CCSC)N
InChI
InChI=1S/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKey
OGGRSJFVXREKOR-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

262.1351 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14238 164.6
[M+Na]+ 285.12432 166.3
[M-H]- 261.12782 161.8
[M+NH4]+ 280.16892 179.4
[M+K]+ 301.09826 165.0
[M+H-H2O]+ 245.13236 157.8
[M+HCOO]- 307.13330 176.8
[M+CH3COO]- 321.14895 200.7
[M+Na-2H]- 283.10977 159.2
[M]+ 262.13455 164.6
[M]- 262.13565 164.6
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

patents stripe