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

27
Patents

169.09251 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 139.1
[M+Na]+ 192.08173 148.9
[M+NH4]+ 187.12633 148.5
[M+K]+ 208.05567 143.0
[M-H]- 168.08523 141.3
[M+Na-2H]- 190.06718 143.8
[M]+ 169.09196 141.6
[M]- 169.09306 141.6
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