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]+ 169.133546 139.1
[M+Na]+ 191.115488 146.2
[M-H]- 167.118994 141.5
[M+NH4]+ 186.160093 158.4
[M+K]+ 207.089428 145.9
[M+H-H2O]+ 151.123530 132.5
[M+HCOO]- 213.124471 161.7
[M+CH3COO]- 227.140121 182.1
[M+Na-2H]- 189.100936 143.1
[M]+ 168.12572142 140.2
[M]- 168.12681858 140.2
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.