CID 471163

Pro-gln-ile-thr-leu-trp

Structural Information

Molecular Formula
C10H13NO2S3
SMILES
C1=CC=C(C=C1)SSCSC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H13NO2S3/c11-9(10(12)13)6-14-7-15-16-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey
CGABOICBWPWQIK-VIFPVBQESA-N
Compound name
(2R)-2-amino-3-[(phenyldisulfanyl)methylsulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.01083 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01811 155.3
[M+Na]+ 298.00005 159.9
[M-H]- 274.00355 154.9
[M+NH4]+ 293.04465 169.8
[M+K]+ 313.97399 152.6
[M+H-H2O]+ 258.00809 148.6
[M+HCOO]- 320.00903 159.3
[M+CH3COO]- 334.02468 194.8
[M+Na-2H]- 295.98550 154.2
[M]+ 275.01028 154.7
[M]- 275.01138 154.7
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

No patent data available for this compound.