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]+ 185.128466 141.5
[M+Na]+ 207.110408 149.3
[M-H]- 183.113914 144.2
[M+NH4]+ 202.155013 160.4
[M+K]+ 223.084348 149.4
[M+H-H2O]+ 167.118450 135.5
[M+HCOO]- 229.119391 163.8
[M+CH3COO]- 243.135041 183.0
[M+Na-2H]- 205.095856 147.6
[M]+ 184.12064142 144.1
[M]- 184.12173858 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.