CID 54595351

[3-(pentan-3-yl)-1,2-oxazol-5-yl]methanamine

Structural Information

Molecular Formula
C9H16N2O
SMILES
CCC(CC)C1=NOC(=C1)CN
InChI
InChI=1S/C9H16N2O/c1-3-7(4-2)9-5-8(6-10)12-11-9/h5,7H,3-4,6,10H2,1-2H3
InChIKey
PXAXBKKGHJIYHW-UHFFFAOYSA-N
Compound name
(3-pentan-3-yl-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.2
[M+Na]+ 191.11549 148.2
[M+NH4]+ 186.16009 145.8
[M+K]+ 207.08943 145.1
[M-H]- 167.11899 140.5
[M+Na-2H]- 189.10094 142.2
[M]+ 168.12572 140.0
[M]- 168.12682 140.0
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.