CID 83671480

Tert-butyl ((5-(aminomethyl)thiazol-2-yl)methyl)carbamate

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(S1)CN
InChI
InChI=1S/C10H17N3O2S/c1-10(2,3)15-9(14)13-6-8-12-5-7(4-11)16-8/h5H,4,6,11H2,1-3H3,(H,13,14)
InChIKey
NCZPSSNSLKZYNB-UHFFFAOYSA-N
Compound name
tert-butyl N-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.10414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 156.6
[M+Na]+ 266.09336 163.2
[M-H]- 242.09686 158.6
[M+NH4]+ 261.13796 174.5
[M+K]+ 282.06730 161.0
[M+H-H2O]+ 226.10140 149.8
[M+HCOO]- 288.10234 174.3
[M+CH3COO]- 302.11799 193.5
[M+Na-2H]- 264.07881 157.6
[M]+ 243.10359 158.8
[M]- 243.10469 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

patents stripe