CID 83827066

1352530-20-1

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC(C)(C)C1=CC(=NO1)CCN
InChI
InChI=1S/C9H16N2O/c1-9(2,3)8-6-7(4-5-10)11-12-8/h6H,4-5,10H2,1-3H3
InChIKey
WTXRYJANPLPISM-UHFFFAOYSA-N
Compound name
2-(5-tert-butyl-1,2-oxazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.5
[M+Na]+ 191.11549 146.5
[M-H]- 167.11899 141.3
[M+NH4]+ 186.16009 158.2
[M+K]+ 207.08943 146.1
[M+H-H2O]+ 151.12353 132.7
[M+HCOO]- 213.12447 160.7
[M+CH3COO]- 227.14012 180.9
[M+Na-2H]- 189.10094 144.6
[M]+ 168.12572 139.7
[M]- 168.12682 139.7
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.