CID 9794159

(2r)-2-amino-3-(prop-2-en-1-yldisulfanyl)propanoic acid

Structural Information

Molecular Formula
C6H11NO2S2
SMILES
C=CCSSC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
InChIKey
WYQZZUUUOXNSCS-YFKPBYRVSA-N
Compound name
(2R)-2-amino-3-(prop-2-enyldisulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

78
References

504
Patents

193.02312 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03040 139.5
[M+Na]+ 216.01234 144.7
[M-H]- 192.01584 137.2
[M+NH4]+ 211.05694 157.7
[M+K]+ 231.98628 140.6
[M+H-H2O]+ 176.02038 133.7
[M+HCOO]- 238.02132 149.0
[M+CH3COO]- 252.03697 181.3
[M+Na-2H]- 213.99779 137.5
[M]+ 193.02257 139.7
[M]- 193.02367 139.7
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