CID 64504099

4-(5-chlorothiophen-2-yl)butan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H12ClNS
SMILES
C1=C(SC(=C1)Cl)CCCCN
InChI
InChI=1S/C8H12ClNS/c9-8-5-4-7(11-8)3-1-2-6-10/h4-5H,1-3,6,10H2
InChIKey
TURFELNEHAJUBG-UHFFFAOYSA-N
Compound name
4-(5-chlorothiophen-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0379 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04518 139.7
[M+Na]+ 212.02712 148.6
[M-H]- 188.03062 143.2
[M+NH4]+ 207.07172 162.4
[M+K]+ 228.00106 143.9
[M+H-H2O]+ 172.03516 135.1
[M+HCOO]- 234.03610 155.7
[M+CH3COO]- 248.05175 181.4
[M+Na-2H]- 210.01257 140.7
[M]+ 189.03735 142.5
[M]- 189.03845 142.5
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.