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

69
Patents

169.09251 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 136.8
[M+Na]+ 192.08173 143.8
[M-H]- 168.08523 140.4
[M+NH4]+ 187.12633 159.5
[M+K]+ 208.05567 141.2
[M+H-H2O]+ 152.08977 131.0
[M+HCOO]- 214.09071 157.8
[M+CH3COO]- 228.10636 180.2
[M+Na-2H]- 190.06718 139.6
[M]+ 169.09196 139.0
[M]- 169.09306 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