CID 393620

N-(2-amino-2-oxoethyl)-1,2-dithiolane-3-pentanamide

Structural Information

Molecular Formula
C10H18N2O2S2
SMILES
C1CSSC1CCCCC(=O)NCC(=O)N
InChI
InChI=1S/C10H18N2O2S2/c11-9(13)7-12-10(14)4-2-1-3-8-5-6-15-16-8/h8H,1-7H2,(H2,11,13)(H,12,14)
InChIKey
CYZPTCVRYMKIMV-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-5-(dithiolan-3-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

262.08096 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08824 159.6
[M+Na]+ 285.07018 162.6
[M-H]- 261.07368 160.9
[M+NH4]+ 280.11478 177.0
[M+K]+ 301.04412 158.8
[M+H-H2O]+ 245.07822 152.8
[M+HCOO]- 307.07916 170.2
[M+CH3COO]- 321.09481 196.0
[M+Na-2H]- 283.05563 156.1
[M]+ 262.08041 158.4
[M]- 262.08151 158.4
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

patents stripe