CID 4723828

Tert-butyl[(thiophen-3-yl)methyl]amine

Structural Information

Molecular Formula
C9H15NS
SMILES
CC(C)(C)NCC1=CSC=C1
InChI
InChI=1S/C9H15NS/c1-9(2,3)10-6-8-4-5-11-7-8/h4-5,7,10H,6H2,1-3H3
InChIKey
SFHMYZDKLSNZDG-UHFFFAOYSA-N
Compound name
2-methyl-N-(thiophen-3-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

169.09251 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 138.3
[M+Na]+ 192.081728 145.7
[M-H]- 168.085234 142.2
[M+NH4]+ 187.126333 161.2
[M+K]+ 208.055668 143.5
[M+H-H2O]+ 152.089770 133.1
[M+HCOO]- 214.090711 157.7
[M+CH3COO]- 228.106361 179.8
[M+Na-2H]- 190.067176 141.7
[M]+ 169.09196142 139.9
[M]- 169.09305858 139.9
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