CID 125511660

(4-chlorothiophen-3-yl)methanamine

Structural Information

Molecular Formula
C5H6ClNS
SMILES
C1=C(C(=CS1)Cl)CN
InChI
InChI=1S/C5H6ClNS/c6-5-3-8-2-4(5)1-7/h2-3H,1,7H2
InChIKey
GGVGCNCFKOEFDZ-UHFFFAOYSA-N
Compound name
(4-chlorothiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.99095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99823 126.0
[M+Na]+ 169.98017 137.7
[M+NH4]+ 165.02477 136.4
[M+K]+ 185.95411 130.7
[M-H]- 145.98367 128.9
[M+Na-2H]- 167.96562 131.9
[M]+ 146.99040 129.1
[M]- 146.99150 129.1
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.