CID 6422232

5-methylthiophen-3-amine hydrochloride

Structural Information

Molecular Formula
C5H7NS
SMILES
CC1=CC(=CS1)N
InChI
InChI=1S/C5H7NS/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3
InChIKey
YHGSDEFWAXHCDW-UHFFFAOYSA-N
Compound name
5-methylthiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

113.02992 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 118.8
[M+Na]+ 136.01914 128.4
[M-H]- 112.02264 123.0
[M+NH4]+ 131.06374 143.8
[M+K]+ 151.99308 126.4
[M+H-H2O]+ 96.027180 114.1
[M+HCOO]- 158.02812 140.4
[M+CH3COO]- 172.04377 168.5
[M+Na-2H]- 134.00459 121.9
[M]+ 113.02937 118.9
[M]- 113.03047 118.9
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