CID 65026882

(2-chloroethyl)[(thiophen-2-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C7H10ClNS
SMILES
C1=CSC(=C1)CNCCCl
InChI
InChI=1S/C7H10ClNS/c8-3-4-9-6-7-2-1-5-10-7/h1-2,5,9H,3-4,6H2
InChIKey
XQRDNFYCNCGFHE-UHFFFAOYSA-N
Compound name
2-chloro-N-(thiophen-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.02225 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02953 135.2
[M+Na]+ 198.01147 143.7
[M-H]- 174.01497 139.0
[M+NH4]+ 193.05607 158.4
[M+K]+ 213.98541 139.6
[M+H-H2O]+ 158.01951 130.5
[M+HCOO]- 220.02045 152.1
[M+CH3COO]- 234.03610 178.0
[M+Na-2H]- 195.99692 138.4
[M]+ 175.02170 138.3
[M]- 175.02280 138.3
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.