CID 19104070

2-methanesulfonyl-2-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CS(=O)(=O)C(CN)C1=CC=CC=C1
InChI
InChI=1S/C9H13NO2S/c1-13(11,12)9(7-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChIKey
LCSTUHDZSVXWOA-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

199.0667 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.073976 141.5
[M+Na]+ 222.055918 148.7
[M-H]- 198.059424 144.8
[M+NH4]+ 217.100523 160.6
[M+K]+ 238.029858 145.8
[M+H-H2O]+ 182.063960 135.7
[M+HCOO]- 244.064901 159.3
[M+CH3COO]- 258.080551 182.8
[M+Na-2H]- 220.041366 145.2
[M]+ 199.06615142 142.1
[M]- 199.06724858 142.1
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

patents stripe