CID 218361

40520-29-4

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

CC1=C2CCCCC2=C(C=C1)NC3=NCCO3

InChI

InChI=1S/C14H18N2O/c1-10-6-7-13(16-14-15-8-9-17-14)12-5-3-2-4-11(10)12/h6-7H,2-5,8-9H2,1H3,(H,15,16)

InChIKey

QTOUBKBORNAEJN-UHFFFAOYSA-N

Compound name

N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 230.1419 Da
Monoisotopic Mass: 2.9
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]+	231.149176	151.7
[M+Na]+	253.131118	157.8
[M-H]-	229.134624	158.0
[M+NH4]+	248.175723	169.5
[M+K]+	269.105058	155.1
[M+H-H2O]+	213.139160	143.9
[M+HCOO]-	275.140101	171.5
[M+CH3COO]-	289.155751	163.7
[M+Na-2H]-	251.116566	156.8
[M]+	230.14135142	148.6
[M]-	230.14244858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe