CID 297295

102107-45-9

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(C(C1=CC=CC=C1)O)NC2=NCCO2
InChI
InChI=1S/C12H16N2O2/c1-9(14-12-13-7-8-16-12)11(15)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,13,14)
InChIKey
LQTGVHLLAVGZFN-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1,3-oxazol-2-ylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.1
[M+Na]+ 243.110408 154.6
[M-H]- 219.113914 154.4
[M+NH4]+ 238.155013 166.0
[M+K]+ 259.084348 153.5
[M+H-H2O]+ 203.118450 142.4
[M+HCOO]- 265.119391 170.2
[M+CH3COO]- 279.135041 186.3
[M+Na-2H]- 241.095856 154.0
[M]+ 220.12064142 147.9
[M]- 220.12173858 147.9
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.