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]+ 185.07431 139.6
[M+Na]+ 207.05625 145.9
[M-H]- 183.05975 142.7
[M+NH4]+ 202.10085 160.7
[M+K]+ 223.03019 143.2
[M+H-H2O]+ 167.06429 133.2
[M+HCOO]- 229.06523 160.5
[M+CH3COO]- 243.08088 182.6
[M+Na-2H]- 205.04170 141.2
[M]+ 184.06648 139.5
[M]- 184.06758 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