CID 7537518

{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}(methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CNCC1=NOC(=C1)C2=CC=CO2
InChI
InChI=1S/C9H10N2O2/c1-10-6-7-5-9(13-11-7)8-3-2-4-12-8/h2-5,10H,6H2,1H3
InChIKey
CQBVGZVXQOWFHV-UHFFFAOYSA-N
Compound name
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.7
[M+Na]+ 201.06345 143.4
[M-H]- 177.06695 141.3
[M+NH4]+ 196.10805 153.1
[M+K]+ 217.03739 143.8
[M+H-H2O]+ 161.07149 127.5
[M+HCOO]- 223.07243 160.9
[M+CH3COO]- 237.08808 149.1
[M+Na-2H]- 199.04890 141.6
[M]+ 178.07368 138.3
[M]- 178.07478 138.3
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

patents stripe