CID 37122

2-(alpha-cyclopropylbenzylamino)-2-oxazoline

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1CC1C(C2=CC=CC=C2)NC3=NCCO3

InChI

InChI=1S/C13H16N2O/c1-2-4-10(5-3-1)12(11-6-7-11)15-13-14-8-9-16-13/h1-5,11-12H,6-9H2,(H,14,15)

InChIKey

RSESMLXPRYZMST-UHFFFAOYSA-N

Compound name

N-[cyclopropyl(phenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.12627 Da
Monoisotopic Mass: 1.9
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]+	217.133546	145.5
[M+Na]+	239.115488	152.5
[M-H]-	215.118994	154.7
[M+NH4]+	234.160093	157.6
[M+K]+	255.089428	150.3
[M+H-H2O]+	199.123530	137.4
[M+HCOO]-	261.124471	168.2
[M+CH3COO]-	275.140121	157.7
[M+Na-2H]-	237.100936	151.2
[M]+	216.12572142	145.9
[M]-	216.12681858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe