CID 129934388

4-(4,5-dihydro-1,2-oxazol-3-yl)aniline

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CON=C1C2=CC=C(C=C2)N
InChI
InChI=1S/C9H10N2O/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-4H,5-6,10H2
InChIKey
BMSATBLARKSODS-UHFFFAOYSA-N
Compound name
4-(4,5-dihydro-1,2-oxazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 131.7
[M+Na]+ 185.068538 139.6
[M-H]- 161.072044 137.5
[M+NH4]+ 180.113143 150.9
[M+K]+ 201.042478 138.2
[M+H-H2O]+ 145.076580 124.6
[M+HCOO]- 207.077521 155.6
[M+CH3COO]- 221.093171 145.6
[M+Na-2H]- 183.053986 138.4
[M]+ 162.07877142 129.6
[M]- 162.07986858 129.6
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

No patent data available for this compound.