CID 10421020

Val-cys

Structural Information

Molecular Formula
C8H16N2O3S
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)O)N
InChI
InChI=1S/C8H16N2O3S/c1-4(2)6(9)7(11)10-5(3-14)8(12)13/h4-6,14H,3,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKey
WPSXZFTVLIAPCN-WDSKDSINSA-N
Compound name
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1494
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

literature stripe

Patent stripe

patents stripe