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
4
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 147.7
[M+Na]+ 242.05698 153.6
[M-H]- 218.06048 152.2
[M+NH4]+ 237.10158 167.5
[M+K]+ 258.03092 155.2
[M+H-H2O]+ 202.06502 140.7
[M+HCOO]- 264.06596 170.6
[M+CH3COO]- 278.08161 199.8
[M+Na-2H]- 240.04243 151.8
[M]+ 219.06721 154.6
[M]- 219.06831 154.6
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.