CID 12509551

4-amino-n,n,n-trimethylbenzene-1-sulfonoimidamide

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CN=S(=O)(C1=CC=C(C=C1)N)N(C)C
InChI
InChI=1S/C9H15N3OS/c1-11-14(13,12(2)3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3
InChIKey
VNWDHAJQRIOCTA-UHFFFAOYSA-N
Compound name
4-[S-(dimethylamino)-N-methylsulfonimidoyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09358 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10086 145.2
[M+Na]+ 236.08280 152.5
[M-H]- 212.08630 151.4
[M+NH4]+ 231.12740 164.7
[M+K]+ 252.05674 150.7
[M+H-H2O]+ 196.09084 138.2
[M+HCOO]- 258.09178 167.5
[M+CH3COO]- 272.10743 196.4
[M+Na-2H]- 234.06825 149.9
[M]+ 213.09303 146.7
[M]- 213.09413 146.7
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.