CID 22612114

214759-25-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 126.2
[M+Na]+ 169.98017 136.4
[M-H]- 145.98367 130.2
[M+NH4]+ 165.02477 150.5
[M+K]+ 185.95411 132.4
[M+H-H2O]+ 129.98821 122.2
[M+HCOO]- 191.98915 143.1
[M+CH3COO]- 206.00480 172.4
[M+Na-2H]- 167.96562 128.7
[M]+ 146.99040 127.9
[M]- 146.99150 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