CID 9576932

Nitrosoaldicarb

Structural Information

Molecular Formula
C7H13N3O3S
SMILES
CC(C)(/C=N/OC(=O)N(C)N=O)SC
InChI
InChI=1S/C7H13N3O3S/c1-7(2,14-4)5-8-13-6(11)10(3)9-12/h5H,1-4H3/b8-5+
InChIKey
REOBLFQFMWNHKP-VMPITWQZSA-N
Compound name
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methyl-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

219.06776 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07504 150.5
[M+Na]+ 242.05698 156.6
[M+NH4]+ 237.10158 156.4
[M+K]+ 258.03092 151.8
[M-H]- 218.06048 150.0
[M+Na-2H]- 240.04243 152.8
[M]+ 219.06721 151.2
[M]- 219.06831 151.2
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.