CID 62457747

{5-[(tert-butoxy)methyl]-1,2-oxazol-3-yl}methanamine

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OCC1=CC(=NO1)CN
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)12-6-8-4-7(5-10)11-13-8/h4H,5-6,10H2,1-3H3
InChIKey
SWXTYDZWGDJROQ-UHFFFAOYSA-N
Compound name
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 141.5
[M+Na]+ 207.11041 149.3
[M-H]- 183.11391 144.2
[M+NH4]+ 202.15501 160.4
[M+K]+ 223.08435 149.4
[M+H-H2O]+ 167.11845 135.5
[M+HCOO]- 229.11939 163.8
[M+CH3COO]- 243.13504 183.0
[M+Na-2H]- 205.09586 147.6
[M]+ 184.12064 144.1
[M]- 184.12174 144.1
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.