CID 323918

41808-42-8

Structural Information

Molecular Formula
C7H11N3OS
SMILES
CC(C)C1=NSC(=C1C(=O)N)N
InChI
InChI=1S/C7H11N3OS/c1-3(2)5-4(6(8)11)7(9)12-10-5/h3H,9H2,1-2H3,(H2,8,11)
InChIKey
XHGVDHOYORGAQN-UHFFFAOYSA-N
Compound name
5-amino-3-propan-2-yl-1,2-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06229 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06957 139.3
[M+Na]+ 208.05151 147.4
[M-H]- 184.05501 141.5
[M+NH4]+ 203.09611 159.3
[M+K]+ 224.02545 145.1
[M+H-H2O]+ 168.05955 132.9
[M+HCOO]- 230.06049 157.5
[M+CH3COO]- 244.07614 185.5
[M+Na-2H]- 206.03696 138.0
[M]+ 185.06174 138.6
[M]- 185.06284 138.6
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

No patent data available for this compound.