CID 50988587

1-[(3-amino-2-methylpropyl)sulfanyl]-2-methoxybenzene hydrochloride

Structural Information

Molecular Formula
C11H17NOS
SMILES
CC(CN)CSC1=CC=CC=C1OC
InChI
InChI=1S/C11H17NOS/c1-9(7-12)8-14-11-6-4-3-5-10(11)13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKey
RXPATPAEEPZLTH-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10309 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11037 147.0
[M+Na]+ 234.09231 153.4
[M-H]- 210.09581 150.0
[M+NH4]+ 229.13691 165.9
[M+K]+ 250.06625 150.4
[M+H-H2O]+ 194.10035 140.6
[M+HCOO]- 256.10129 165.0
[M+CH3COO]- 270.11694 189.3
[M+Na-2H]- 232.07776 148.3
[M]+ 211.10254 149.1
[M]- 211.10364 149.1
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

No patent data available for this compound.