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]+ 233.128466 152.3
[M+Na]+ 255.110408 161.2
[M-H]- 231.113914 158.6
[M+NH4]+ 250.155013 169.3
[M+K]+ 271.084348 159.2
[M+H-H2O]+ 215.118450 144.8
[M+HCOO]- 277.119391 176.5
[M+CH3COO]- 291.135041 193.3
[M+Na-2H]- 253.095856 156.4
[M]+ 232.12064142 155.3
[M]- 232.12173858 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.