CID 3064028

2-(p-methoxybenzylamino)-2-oxazoline

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COC1=CC=C(C=C1)CNC2=NCCO2
InChI
InChI=1S/C11H14N2O2/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKey
BTRLNNOHLYYWBM-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 143.7
[M+Na]+ 229.09475 150.7
[M-H]- 205.09825 149.7
[M+NH4]+ 224.13935 161.4
[M+K]+ 245.06869 149.7
[M+H-H2O]+ 189.10279 136.1
[M+HCOO]- 251.10373 167.8
[M+CH3COO]- 265.11938 185.2
[M+Na-2H]- 227.08020 150.4
[M]+ 206.10498 144.7
[M]- 206.10608 144.7
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