CID 25271757

Ns00011818

Structural Information

Molecular Formula
C8H10N2O2S2
SMILES
CC(=O)NC1C2C(=CSS2)N(C1=O)C
InChI
InChI=1S/C8H10N2O2S2/c1-4(11)9-6-7-5(3-13-14-7)10(2)8(6)12/h3,6-7H,1-2H3,(H,9,11)
InChIKey
USRLEBXHKBDPBV-UHFFFAOYSA-N
Compound name
N-(4-methyl-5-oxo-6,6a-dihydrodithiolo[4,3-b]pyrrol-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

478
Patents

230.01837 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.025646 148.6
[M+Na]+ 253.007588 158.4
[M-H]- 229.011094 152.4
[M+NH4]+ 248.052193 170.9
[M+K]+ 268.981528 155.4
[M+H-H2O]+ 213.015630 144.6
[M+HCOO]- 275.016571 160.7
[M+CH3COO]- 289.032221 188.8
[M+Na-2H]- 250.993036 146.6
[M]+ 230.01782142 151.4
[M]- 230.01891858 151.4
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