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]+ 166.06850 125.9
[M+Na]+ 188.05044 135.4
[M-H]- 164.05394 133.3
[M+NH4]+ 183.09504 142.0
[M+K]+ 204.02438 131.6
[M+H-H2O]+ 148.05848 119.5
[M+HCOO]- 210.05942 146.4
[M+CH3COO]- 224.07507 139.7
[M+Na-2H]- 186.03589 130.6
[M]+ 165.06067 127.8
[M]- 165.06177 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.