CID 83671482

Tert-butyl n-{[2-(aminomethyl)-1,3-thiazol-4-yl]methyl}carbamate

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
CC(C)(C)OC(=O)NCC1=CSC(=N1)CN
InChI
InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)12-5-7-6-16-8(4-11)13-7/h6H,4-5,11H2,1-3H3,(H,12,14)
InChIKey
PABUZOMOXJNGQO-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.111416 156.6
[M+Na]+ 266.093358 163.2
[M-H]- 242.096864 158.6
[M+NH4]+ 261.137963 174.5
[M+K]+ 282.067298 161.0
[M+H-H2O]+ 226.101400 149.8
[M+HCOO]- 288.102341 174.3
[M+CH3COO]- 302.117991 193.5
[M+Na-2H]- 264.078806 157.6
[M]+ 243.10359142 158.8
[M]- 243.10468858 158.8
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.