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]+ 170.09979 137.9
[M+Na]+ 192.08173 144.6
[M-H]- 168.08523 141.6
[M+NH4]+ 187.12633 160.5
[M+K]+ 208.05567 142.4
[M+H-H2O]+ 152.08977 132.1
[M+HCOO]- 214.09071 157.8
[M+CH3COO]- 228.10636 181.0
[M+Na-2H]- 190.06718 139.5
[M]+ 169.09196 139.4
[M]- 169.09306 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