CID 163297611

2408970-14-7

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CS(=N)(=O)C1=CC=CC(=C1)CN
InChI
InChI=1S/C8H12N2OS/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3
InChIKey
ALYLFUFNFSMRPE-UHFFFAOYSA-N
Compound name
[3-(methylsulfonimidoyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 138.5
[M+Na]+ 207.05625 148.8
[M+NH4]+ 202.10085 146.6
[M+K]+ 223.03019 141.7
[M-H]- 183.05975 140.8
[M+Na-2H]- 205.04170 144.5
[M]+ 184.06648 140.9
[M]- 184.06758 140.9
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.