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]+ 190.045176 139.7
[M+Na]+ 212.027118 148.6
[M-H]- 188.030624 143.2
[M+NH4]+ 207.071723 162.4
[M+K]+ 228.001058 143.9
[M+H-H2O]+ 172.035160 135.1
[M+HCOO]- 234.036101 155.7
[M+CH3COO]- 248.051751 181.4
[M+Na-2H]- 210.012566 140.7
[M]+ 189.03735142 142.5
[M]- 189.03844858 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.