CID 64557249

1480982-24-8

Structural Information

Molecular Formula
C10H17N3OS
SMILES
CC(C1=CSC(=N1)NC(=O)C(C)(C)C)N
InChI
InChI=1S/C10H17N3OS/c1-6(11)7-5-15-9(12-7)13-8(14)10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13,14)
InChIKey
KVXOYZWBUQDZAC-UHFFFAOYSA-N
Compound name
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.116516 153.5
[M+Na]+ 250.098458 160.0
[M-H]- 226.101964 155.8
[M+NH4]+ 245.143063 172.1
[M+K]+ 266.072398 157.9
[M+H-H2O]+ 210.106500 147.1
[M+HCOO]- 272.107441 170.0
[M+CH3COO]- 286.123091 192.9
[M+Na-2H]- 248.083906 153.4
[M]+ 227.10869142 153.9
[M]- 227.10978858 153.9
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

No patent data available for this compound.