CID 21613200

Propyl[2-(thiophen-2-yl)ethyl]amine

Structural Information

Molecular Formula
C9H15NS
SMILES
CCCNCCC1=CC=CS1
InChI
InChI=1S/C9H15NS/c1-2-6-10-7-5-9-4-3-8-11-9/h3-4,8,10H,2,5-7H2,1H3
InChIKey
YZBKMLGLDHXXFH-UHFFFAOYSA-N
Compound name
N-(2-thiophen-2-ylethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

169.09251 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 136.8
[M+Na]+ 192.081728 143.8
[M-H]- 168.085234 140.4
[M+NH4]+ 187.126333 159.5
[M+K]+ 208.055668 141.2
[M+H-H2O]+ 152.089770 131.0
[M+HCOO]- 214.090711 157.8
[M+CH3COO]- 228.106361 180.2
[M+Na-2H]- 190.067176 139.6
[M]+ 169.09196142 139.0
[M]- 169.09305858 139.0
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