CID 25335775

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

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CC1C2=NC=C(O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C12H12N2O/c13-10-5-3-8(4-6-10)11-7-14-12(15-11)9-1-2-9/h3-7,9H,1-2,13H2
InChIKey
YUTWYOJPIUVEKL-UHFFFAOYSA-N
Compound name
4-(2-cyclopropyl-1,3-oxazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 140.0
[M+Na]+ 223.084178 150.6
[M-H]- 199.087684 149.9
[M+NH4]+ 218.128783 153.2
[M+K]+ 239.058118 147.3
[M+H-H2O]+ 183.092220 132.6
[M+HCOO]- 245.093161 164.7
[M+CH3COO]- 259.108811 153.8
[M+Na-2H]- 221.069626 146.0
[M]+ 200.09441142 142.1
[M]- 200.09550858 142.1
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.