CID 25324136

2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethan-1-amine

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=CC=C(C=C1)C2=NC(=CO2)CCN
InChI
InChI=1S/C12H14N2O/c1-9-2-4-10(5-3-9)12-14-11(6-7-13)8-15-12/h2-5,8H,6-7,13H2,1H3
InChIKey
CPQIPXOEJSZOSQ-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.4
[M+Na]+ 225.09983 153.0
[M-H]- 201.10333 150.5
[M+NH4]+ 220.14443 162.4
[M+K]+ 241.07377 150.6
[M+H-H2O]+ 185.10787 137.0
[M+HCOO]- 247.10881 168.7
[M+CH3COO]- 261.12446 187.0
[M+Na-2H]- 223.08528 149.7
[M]+ 202.11006 145.2
[M]- 202.11116 145.2
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