CID 2735293

175137-04-9

Structural Information

Molecular Formula
C9H14N2OS
SMILES
CC(C)(C)C1=CC(=C(S1)C(=O)N)N
InChI
InChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12)
InChIKey
MKHZJBZWKNDDCN-UHFFFAOYSA-N
Compound name
3-amino-5-tert-butylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

198.08269 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08997 144.5
[M+Na]+ 221.07191 152.5
[M-H]- 197.07541 147.9
[M+NH4]+ 216.11651 165.5
[M+K]+ 237.04585 149.7
[M+H-H2O]+ 181.07995 139.3
[M+HCOO]- 243.08089 162.8
[M+CH3COO]- 257.09654 187.6
[M+Na-2H]- 219.05736 144.2
[M]+ 198.08214 144.0
[M]- 198.08324 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe