CID 58171

101077-08-1

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1COC(=N1)NC2CC2C3=CC=CC=C3
InChI
InChI=1S/C12H14N2O/c1-2-4-9(5-3-1)10-8-11(10)14-12-13-6-7-15-12/h1-5,10-11H,6-8H2,(H,13,14)
InChIKey
OXLVPXCJOFNLRS-UHFFFAOYSA-N
Compound name
N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 141.6
[M+Na]+ 225.09983 150.3
[M-H]- 201.10333 151.3
[M+NH4]+ 220.14443 154.7
[M+K]+ 241.07377 147.8
[M+H-H2O]+ 185.10787 133.8
[M+HCOO]- 247.10881 165.5
[M+CH3COO]- 261.12446 154.7
[M+Na-2H]- 223.08528 148.2
[M]+ 202.11006 142.7
[M]- 202.11116 142.7
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

No patent data available for this compound.