CID 4555997

[4-(propylthio)phenyl]amine hydrochloride

Structural Information

Molecular Formula
C9H13NS
SMILES
CCCSC1=CC=C(C=C1)N
InChI
InChI=1S/C9H13NS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKey
PZHFERQADHACDR-UHFFFAOYSA-N
Compound name
4-propylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

167.07687 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 133.7
[M+Na]+ 190.066088 141.5
[M-H]- 166.069594 137.1
[M+NH4]+ 185.110693 154.6
[M+K]+ 206.040028 138.0
[M+H-H2O]+ 150.074130 127.9
[M+HCOO]- 212.075071 153.3
[M+CH3COO]- 226.090721 180.4
[M+Na-2H]- 188.051536 137.2
[M]+ 167.07632142 134.4
[M]- 167.07741858 134.4
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