CID 3141996

23588-51-4

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CC(C)(CN1CCOCC1)C=O

InChI

InChI=1S/C9H17NO2/c1-9(2,8-11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3

InChIKey

KVOOZKISXYTWCJ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-morpholin-4-ylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 282
Patents: 171.12593 Da
Monoisotopic Mass: 0.3
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]+	172.13321	138.7
[M+Na]+	194.11515	143.8
[M-H]-	170.11865	140.6
[M+NH4]+	189.15975	156.3
[M+K]+	210.08909	144.3
[M+H-H2O]+	154.12319	132.6
[M+HCOO]-	216.12413	155.8
[M+CH3COO]-	230.13978	178.5
[M+Na-2H]-	192.10060	145.7
[M]+	171.12538	137.2
[M]-	171.12648	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe