CID 24701450

2-amino-4-methyl-n-(1,3-thiazol-2-yl)pentanamide

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CC(C)CC(C(=O)NC1=NC=CS1)N
InChI
InChI=1S/C9H15N3OS/c1-6(2)5-7(10)8(13)12-9-11-3-4-14-9/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13)
InChIKey
DVYUPIGMLMFLTJ-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10086 149.1
[M+Na]+ 236.08280 154.4
[M-H]- 212.08630 150.9
[M+NH4]+ 231.12740 167.6
[M+K]+ 252.05674 152.6
[M+H-H2O]+ 196.09084 141.9
[M+HCOO]- 258.09178 166.4
[M+CH3COO]- 272.10743 190.0
[M+Na-2H]- 234.06825 148.1
[M]+ 213.09303 148.7
[M]- 213.09413 148.7
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.