CID 144242138

Tert-butyl 2-(aminomethyl)-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC(C)(C)OC(=O)C1=CN=C(S1)CN
InChI
InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)6-5-11-7(4-10)14-6/h5H,4,10H2,1-3H3
InChIKey
IPVKAHDVJLTECS-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0776 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 149.3
[M+Na]+ 237.06682 157.6
[M+NH4]+ 232.11142 156.2
[M+K]+ 253.04076 153.7
[M-H]- 213.07032 149.0
[M+Na-2H]- 235.05227 152.2
[M]+ 214.07705 150.6
[M]- 214.07815 150.6
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.