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]+ 179.081506 133.7
[M+Na]+ 201.063448 143.4
[M-H]- 177.066954 141.3
[M+NH4]+ 196.108053 153.1
[M+K]+ 217.037388 143.8
[M+H-H2O]+ 161.071490 127.5
[M+HCOO]- 223.072431 160.9
[M+CH3COO]- 237.088081 149.1
[M+Na-2H]- 199.048896 141.6
[M]+ 178.07368142 138.3
[M]- 178.07477858 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