CID 44248867

2-chloro-4-methylthiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C5H6ClNS
SMILES
CC1=CSC(=C1N)Cl
InChI
InChI=1S/C5H6ClNS/c1-3-2-8-5(6)4(3)7/h2H,7H2,1H3
InChIKey
NFBLTDKTVSFTRX-UHFFFAOYSA-N
Compound name
2-chloro-4-methylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

146.99095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99823 125.9
[M+Na]+ 169.98017 136.9
[M-H]- 145.98367 130.2
[M+NH4]+ 165.02477 150.5
[M+K]+ 185.95411 132.9
[M+H-H2O]+ 129.98821 122.2
[M+HCOO]- 191.98915 142.7
[M+CH3COO]- 206.00480 173.5
[M+Na-2H]- 167.96562 127.7
[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

literature stripe

Patent stripe

patents stripe