CID 22280475

(4-hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
CC(C)(C)OC(=O)NC1=NC(=CS1)CO
InChI
InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h5,12H,4H2,1-3H3,(H,10,11,13)
InChIKey
OWLBQQTUOQLZST-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

230.07251 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07979 152.0
[M+Na]+ 253.06173 159.4
[M-H]- 229.06523 153.4
[M+NH4]+ 248.10633 170.3
[M+K]+ 269.03567 157.5
[M+H-H2O]+ 213.06977 146.1
[M+HCOO]- 275.07071 168.5
[M+CH3COO]- 289.08636 185.6
[M+Na-2H]- 251.04718 153.7
[M]+ 230.07196 155.2
[M]- 230.07306 155.2
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