CID 45695

63956-94-5

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C1=CC=CO1)NC2=NCCO2
InChI
InChI=1S/C9H12N2O2/c1-7(8-3-2-5-12-8)11-9-10-4-6-13-9/h2-3,5,7H,4,6H2,1H3,(H,10,11)
InChIKey
MAXMHZNOZRNGOY-UHFFFAOYSA-N
Compound name
N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.9
[M+Na]+ 203.079088 144.2
[M-H]- 179.082594 144.5
[M+NH4]+ 198.123693 156.6
[M+K]+ 219.053028 145.6
[M+H-H2O]+ 163.087130 131.3
[M+HCOO]- 225.088071 161.2
[M+CH3COO]- 239.103721 179.5
[M+Na-2H]- 201.064536 143.2
[M]+ 180.08932142 138.4
[M]- 180.09041858 138.4
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

patents stripe