CID 214669

33587-61-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CC2=CC=CC=C2C1NC3=NCCO3

InChI

InChI=1S/C12H14N2O/c1-2-4-10-9(3-1)5-6-11(10)14-12-13-7-8-15-12/h1-4,11H,5-8H2,(H,13,14)

InChIKey

USPOZAMBZZCKGV-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 202.11061 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.117886	142.1
[M+Na]+	225.099828	149.0
[M-H]-	201.103334	149.0
[M+NH4]+	220.144433	162.7
[M+K]+	241.073768	147.1
[M+H-H2O]+	185.107870	135.3
[M+HCOO]-	247.108811	164.9
[M+CH3COO]-	261.124461	155.4
[M+Na-2H]-	223.085276	147.5
[M]+	202.11006142	140.3
[M]-	202.11115858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe