CID 22612083

(4-chlorothiophen-2-yl)methanamine

Structural Information

Molecular Formula
C5H6ClNS
SMILES
C1=C(SC=C1Cl)CN
InChI
InChI=1S/C5H6ClNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKey
UDLPZWJCNIRBJZ-UHFFFAOYSA-N
Compound name
(4-chlorothiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

146.99095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.998226 126.2
[M+Na]+ 169.980168 136.4
[M-H]- 145.983674 130.2
[M+NH4]+ 165.024773 150.5
[M+K]+ 185.954108 132.4
[M+H-H2O]+ 129.988210 122.2
[M+HCOO]- 191.989151 143.1
[M+CH3COO]- 206.004801 172.4
[M+Na-2H]- 167.965616 128.7
[M]+ 146.99040142 127.9
[M]- 146.99149858 127.9
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

patents stripe