CID 33632

Aniline, 3,4-methylenedioxy-n-(2-oxazolinyl)-

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1COC(=N1)NC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C10H10N2O3/c1-2-8-9(15-6-14-8)5-7(1)12-10-11-3-4-13-10/h1-2,5H,3-4,6H2,(H,11,12)
InChIKey
SMPAXXXLWWFLFY-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 139.7
[M+Na]+ 229.058358 147.5
[M-H]- 205.061864 148.0
[M+NH4]+ 224.102963 157.2
[M+K]+ 245.032298 148.8
[M+H-H2O]+ 189.066400 134.0
[M+HCOO]- 251.067341 161.3
[M+CH3COO]- 265.082991 153.6
[M+Na-2H]- 227.043806 147.3
[M]+ 206.06859142 141.2
[M]- 206.06968858 141.2
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

patents stripe