CID 28780690

N-[(dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC1=C(C(=NO1)C)CNC2CC2
InChI
InChI=1S/C9H14N2O/c1-6-9(7(2)12-11-6)5-10-8-3-4-8/h8,10H,3-5H2,1-2H3
InChIKey
WOQINBWXORXYAX-UHFFFAOYSA-N
Compound name
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 135.6
[M+Na]+ 189.099828 146.0
[M-H]- 165.103334 143.0
[M+NH4]+ 184.144433 150.8
[M+K]+ 205.073768 144.0
[M+H-H2O]+ 149.107870 128.7
[M+HCOO]- 211.108811 160.0
[M+CH3COO]- 225.124461 184.8
[M+Na-2H]- 187.085276 141.7
[M]+ 166.11006142 139.9
[M]- 166.11115858 139.9
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.