CID 80461606

(5-cyclopentyl-1,2-oxazol-3-yl)methanamine

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1CCC(C1)C2=CC(=NO2)CN
InChI
InChI=1S/C9H14N2O/c10-6-8-5-9(12-11-8)7-3-1-2-4-7/h5,7H,1-4,6,10H2
InChIKey
OJWRHQCDUURWSZ-UHFFFAOYSA-N
Compound name
(5-cyclopentyl-1,2-oxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 135.2
[M+Na]+ 189.099828 141.7
[M-H]- 165.103334 140.6
[M+NH4]+ 184.144433 155.8
[M+K]+ 205.073768 141.0
[M+H-H2O]+ 149.107870 128.5
[M+HCOO]- 211.108811 158.2
[M+CH3COO]- 225.124461 177.9
[M+Na-2H]- 187.085276 138.4
[M]+ 166.11006142 132.4
[M]- 166.11115858 132.4
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.