CID 22916663

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

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
CC(C)(C)OC(=O)NCC1=NC(=CS1)CO
InChI
InChI=1S/C10H16N2O3S/c1-10(2,3)15-9(14)11-4-8-12-7(5-13)6-16-8/h6,13H,4-5H2,1-3H3,(H,11,14)
InChIKey
HYHQFXXHHIPZIR-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.08817 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09545 156.4
[M+Na]+ 267.07739 163.4
[M-H]- 243.08089 157.7
[M+NH4]+ 262.12199 174.2
[M+K]+ 283.05133 161.3
[M+H-H2O]+ 227.08543 150.3
[M+HCOO]- 289.08637 172.6
[M+CH3COO]- 303.10202 188.6
[M+Na-2H]- 265.06284 157.6
[M]+ 244.08762 160.0
[M]- 244.08872 160.0
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