CID 9570885

2-(o-(methyl(1-oxobutyl)carbamoyl)oximino)-1,4-diamine

Structural Information

Molecular Formula
C10H16N2O3S2
SMILES
CCCC(=O)N(C)C(=O)O/N=C/1\CSCCS1
InChI
InChI=1S/C10H16N2O3S2/c1-3-4-9(13)12(2)10(14)15-11-8-7-16-5-6-17-8/h3-7H2,1-2H3/b11-8+
InChIKey
YNMPYEYPRKKZCC-DHZHZOJOSA-N
Compound name
[(E)-1,4-dithian-2-ylideneamino] N-butanoyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06024 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06752 161.2
[M+Na]+ 299.04946 163.8
[M-H]- 275.05296 165.5
[M+NH4]+ 294.09406 177.8
[M+K]+ 315.02340 162.4
[M+H-H2O]+ 259.05750 153.7
[M+HCOO]- 321.05844 172.7
[M+CH3COO]- 335.07409 202.1
[M+Na-2H]- 297.03491 160.0
[M]+ 276.05969 162.3
[M]- 276.06079 162.3
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.