CID 9817970

1909336-16-8

Structural Information

Molecular Formula
C6H10N2O4S
SMILES
C(C(=O)NCC(=O)O)NC(=O)CS
InChI
InChI=1S/C6H10N2O4S/c9-4(8-2-6(11)12)1-7-5(10)3-13/h13H,1-3H2,(H,7,10)(H,8,9)(H,11,12)
InChIKey
VRDXYRIUHRFBGD-UHFFFAOYSA-N
Compound name
2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

206.03613 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04341 143.3
[M+Na]+ 229.02535 147.8
[M-H]- 205.02885 141.9
[M+NH4]+ 224.06995 160.7
[M+K]+ 244.99929 146.7
[M+H-H2O]+ 189.03339 137.1
[M+HCOO]- 251.03433 160.2
[M+CH3COO]- 265.04998 185.0
[M+Na-2H]- 227.01080 143.7
[M]+ 206.03558 144.4
[M]- 206.03668 144.4
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