CID 918443

1049678-06-9

Structural Information

Molecular Formula
C9H15NS
SMILES
CC(C)CNCC1=CC=CS1
InChI
InChI=1S/C9H15NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,8,10H,6-7H2,1-2H3
InChIKey
YRXXZEKTOKFSKA-UHFFFAOYSA-N
Compound name
2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.09251 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 137.9
[M+Na]+ 192.081728 144.6
[M-H]- 168.085234 141.6
[M+NH4]+ 187.126333 160.5
[M+K]+ 208.055668 142.4
[M+H-H2O]+ 152.089770 132.1
[M+HCOO]- 214.090711 157.8
[M+CH3COO]- 228.106361 181.0
[M+Na-2H]- 190.067176 139.5
[M]+ 169.09196142 139.4
[M]- 169.09305858 139.4
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