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]+ 167.11789 135.2
[M+Na]+ 189.09983 141.7
[M-H]- 165.10333 140.6
[M+NH4]+ 184.14443 155.8
[M+K]+ 205.07377 141.0
[M+H-H2O]+ 149.10787 128.5
[M+HCOO]- 211.10881 158.2
[M+CH3COO]- 225.12446 177.9
[M+Na-2H]- 187.08528 138.4
[M]+ 166.11006 132.4
[M]- 166.11116 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.