CID 39194741

1178816-89-1

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC1=C(C(=NO1)C)COC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H16N2O2/c1-9-13(10(2)17-15-9)8-16-12-5-3-11(7-14)4-6-12/h3-6H,7-8,14H2,1-2H3
InChIKey
SKIQGQZVKMXZFW-UHFFFAOYSA-N
Compound name
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.3
[M+Na]+ 255.11041 161.2
[M-H]- 231.11391 158.6
[M+NH4]+ 250.15501 169.3
[M+K]+ 271.08435 159.2
[M+H-H2O]+ 215.11845 144.8
[M+HCOO]- 277.11939 176.5
[M+CH3COO]- 291.13504 193.3
[M+Na-2H]- 253.09586 156.4
[M]+ 232.12064 155.3
[M]- 232.12174 155.3
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.