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

0
Patents

206.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 139.7
[M+Na]+ 229.05836 147.5
[M-H]- 205.06186 148.0
[M+NH4]+ 224.10296 157.2
[M+K]+ 245.03230 148.8
[M+H-H2O]+ 189.06640 134.0
[M+HCOO]- 251.06734 161.3
[M+CH3COO]- 265.08299 153.6
[M+Na-2H]- 227.04381 147.3
[M]+ 206.06859 141.2
[M]- 206.06969 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