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]+ 228.11652 153.5
[M+Na]+ 250.09846 160.0
[M-H]- 226.10196 155.8
[M+NH4]+ 245.14306 172.1
[M+K]+ 266.07240 157.9
[M+H-H2O]+ 210.10650 147.1
[M+HCOO]- 272.10744 170.0
[M+CH3COO]- 286.12309 192.9
[M+Na-2H]- 248.08391 153.4
[M]+ 227.10869 153.9
[M]- 227.10979 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.