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]+ 176.029526 135.2
[M+Na]+ 198.011468 143.7
[M-H]- 174.014974 139.0
[M+NH4]+ 193.056073 158.4
[M+K]+ 213.985408 139.6
[M+H-H2O]+ 158.019510 130.5
[M+HCOO]- 220.020451 152.1
[M+CH3COO]- 234.036101 178.0
[M+Na-2H]- 195.996916 138.4
[M]+ 175.02170142 138.3
[M]- 175.02279858 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.