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]+ 181.09715 137.9
[M+Na]+ 203.07909 144.2
[M-H]- 179.08259 144.5
[M+NH4]+ 198.12369 156.6
[M+K]+ 219.05303 145.6
[M+H-H2O]+ 163.08713 131.3
[M+HCOO]- 225.08807 161.2
[M+CH3COO]- 239.10372 179.5
[M+Na-2H]- 201.06454 143.2
[M]+ 180.08932 138.4
[M]- 180.09042 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