CID 5218438

(5-tert-butylthiophen-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H15NS
SMILES
CC(C)(C)C1=CC=C(S1)CN
InChI
InChI=1S/C9H15NS/c1-9(2,3)8-5-4-7(6-10)11-8/h4-5H,6,10H2,1-3H3
InChIKey
OBJOTJYMKFRMOG-UHFFFAOYSA-N
Compound name
(5-tert-butylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

169.09251 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 138.0
[M+Na]+ 192.081728 146.3
[M-H]- 168.085234 141.8
[M+NH4]+ 187.126333 160.9
[M+K]+ 208.055668 143.7
[M+H-H2O]+ 152.089770 133.1
[M+HCOO]- 214.090711 156.8
[M+CH3COO]- 228.106361 180.2
[M+Na-2H]- 190.067176 139.8
[M]+ 169.09196142 138.9
[M]- 169.09305858 138.9
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