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

28
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 138.0
[M+Na]+ 192.08173 146.3
[M-H]- 168.08523 141.8
[M+NH4]+ 187.12633 160.9
[M+K]+ 208.05567 143.7
[M+H-H2O]+ 152.08977 133.1
[M+HCOO]- 214.09071 156.8
[M+CH3COO]- 228.10636 180.2
[M+Na-2H]- 190.06718 139.8
[M]+ 169.09196 138.9
[M]- 169.09306 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