CID 16639144

N-(3-aminopropyl)thiophene-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C1=CSC(=C1)C(=O)NCCCN
InChI
InChI=1S/C8H12N2OS/c9-4-2-5-10-8(11)7-3-1-6-12-7/h1,3,6H,2,4-5,9H2,(H,10,11)
InChIKey
XJXXGRPGNYDVQZ-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 139.6
[M+Na]+ 207.056248 145.9
[M-H]- 183.059754 142.7
[M+NH4]+ 202.100853 160.7
[M+K]+ 223.030188 143.2
[M+H-H2O]+ 167.064290 133.2
[M+HCOO]- 229.065231 160.5
[M+CH3COO]- 243.080881 182.6
[M+Na-2H]- 205.041696 141.2
[M]+ 184.06648142 139.5
[M]- 184.06757858 139.5
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