CID 28985228

2-(cyclopropylsulfanyl)aniline

Structural Information

Molecular Formula
C9H11NS
SMILES
C1CC1SC2=CC=CC=C2N
InChI
InChI=1S/C9H11NS/c10-8-3-1-2-4-9(8)11-7-5-6-7/h1-4,7H,5-6,10H2
InChIKey
HEIUZKJIJPUNAF-UHFFFAOYSA-N
Compound name
2-cyclopropylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06122 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.068496 125.9
[M+Na]+ 188.050438 135.4
[M-H]- 164.053944 133.3
[M+NH4]+ 183.095043 142.0
[M+K]+ 204.024378 131.6
[M+H-H2O]+ 148.058480 119.5
[M+HCOO]- 210.059421 146.4
[M+CH3COO]- 224.075071 139.7
[M+Na-2H]- 186.035886 130.6
[M]+ 165.06067142 127.8
[M]- 165.06176858 127.8
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.