CID 19851048

Cys-leu

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CC(C)CC(C(=O)O)NC(=O)C(CS)N
InChI
InChI=1S/C9H18N2O3S/c1-5(2)3-7(9(13)14)11-8(12)6(10)4-15/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
NXTYATMDWQYLGJ-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-sulfanylpropanoyl)amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.10382 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 155.8
[M+Na]+ 257.09304 158.4
[M-H]- 233.09654 153.4
[M+NH4]+ 252.13764 171.8
[M+K]+ 273.06698 157.5
[M+H-H2O]+ 217.10108 149.4
[M+HCOO]- 279.10202 168.6
[M+CH3COO]- 293.11767 194.8
[M+Na-2H]- 255.07849 151.3
[M]+ 234.10327 155.1
[M]- 234.10437 155.1
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