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: 2
Patents: 219.06776 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.075036	147.7
[M+Na]+	242.056978	153.6
[M-H]-	218.060484	152.2
[M+NH4]+	237.101583	167.5
[M+K]+	258.030918	155.2
[M+H-H2O]+	202.065020	140.7
[M+HCOO]-	264.065961	170.6
[M+CH3COO]-	278.081611	199.8
[M+Na-2H]-	240.042426	151.8
[M]+	219.06721142	154.6
[M]-	219.06830858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe