CID 57723331

2138280-47-2

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC12CNC3=CC=CC=C3O2

InChI

InChI=1S/C10H11NO/c1-2-4-9-8(3-1)11-7-10(12-9)5-6-10/h1-4,11H,5-7H2

InChIKey

NFQAUVGOGYMJGP-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 161.08406 Da
Monoisotopic Mass: 2.0
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]+	162.09134	136.5
[M+Na]+	184.07328	146.1
[M-H]-	160.07678	141.7
[M+NH4]+	179.11788	152.3
[M+K]+	200.04722	144.2
[M+H-H2O]+	144.08132	129.7
[M+HCOO]-	206.08226	154.2
[M+CH3COO]-	220.09791	149.1
[M+Na-2H]-	182.05873	147.0
[M]+	161.08351	135.6
[M]-	161.08461	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe