CID 14743847

1823037-19-9

Structural Information

Molecular Formula

SMILES

C1CC2C(C1)ON=C2C=O

InChI

InChI=1S/C7H9NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h4-5,7H,1-3H2

InChIKey

POIRGZWXTGKTOW-UHFFFAOYSA-N

Compound name

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 139.06332 Da
Monoisotopic Mass: 0.6
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]+	140.070596	126.0
[M+Na]+	162.052538	134.6
[M-H]-	138.056044	129.8
[M+NH4]+	157.097143	149.6
[M+K]+	178.026478	134.7
[M+H-H2O]+	122.060580	121.0
[M+HCOO]-	184.061521	148.1
[M+CH3COO]-	198.077171	170.8
[M+Na-2H]-	160.037986	131.5
[M]+	139.06277142	126.3
[M]-	139.06386858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.