CID 87631897

S-(3-methylbutan-3-yl)-l-cysteinylglycine

Structural Information

Molecular Formula
C10H20N2O4S
SMILES
CC(C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C10H20N2O4S/c1-10(2,3-4-13)17-6-7(11)9(16)12-5-8(14)15/h7,13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKey
VKNYIUAACZKZDC-ZETCQYMHSA-N
Compound name
2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

25
Patents

264.11438 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12166 161.7
[M+Na]+ 287.10360 164.0
[M-H]- 263.10710 157.7
[M+NH4]+ 282.14820 175.8
[M+K]+ 303.07754 162.0
[M+H-H2O]+ 247.11164 155.5
[M+HCOO]- 309.11258 173.5
[M+CH3COO]- 323.12823 196.0
[M+Na-2H]- 285.08905 159.8
[M]+ 264.11383 161.6
[M]- 264.11493 161.6
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