CID 20032849

Cysteinyl-valine

Structural Information

Molecular Formula
C8H16N2O3S
SMILES
CC(C)C(C(=O)O)NC(=O)C(CS)N
InChI
InChI=1S/C8H16N2O3S/c1-4(2)6(8(12)13)10-7(11)5(9)3-14/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKey
OELDIVRKHTYFNG-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.08817 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09545 151.4
[M+Na]+ 243.07739 154.4
[M-H]- 219.08089 149.2
[M+NH4]+ 238.12199 167.9
[M+K]+ 259.05133 153.7
[M+H-H2O]+ 203.08543 145.2
[M+HCOO]- 265.08637 164.5
[M+CH3COO]- 279.10202 191.8
[M+Na-2H]- 241.06284 147.4
[M]+ 220.08762 150.3
[M]- 220.08872 150.3
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