CID 92132780

3403-45-0

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC1=C(OC=N1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H14N2O3/c1-6-7(13-5-10-6)11-8(12)14-9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKey
XRSLXDDGKNZMMM-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methyl-1,3-oxazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 143.4
[M+Na]+ 221.089668 151.3
[M-H]- 197.093174 146.9
[M+NH4]+ 216.134273 162.0
[M+K]+ 237.063608 152.3
[M+H-H2O]+ 181.097710 137.5
[M+HCOO]- 243.098651 165.9
[M+CH3COO]- 257.114301 184.4
[M+Na-2H]- 219.075116 149.5
[M]+ 198.09990142 147.0
[M]- 198.10099858 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe