CID 45096096

40987-47-1

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(C)N1CCOC(C1)CO

InChI

InChI=1S/C8H17NO2/c1-7(2)9-3-4-11-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3

InChIKey

UUAGIRDSIZQDKG-UHFFFAOYSA-N

Compound name

(4-propan-2-ylmorpholin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 159.12593 Da
Monoisotopic Mass: 0.1
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]+	160.133206	136.8
[M+Na]+	182.115148	141.8
[M-H]-	158.118654	137.6
[M+NH4]+	177.159753	154.3
[M+K]+	198.089088	142.3
[M+H-H2O]+	142.123190	130.6
[M+HCOO]-	204.124131	153.0
[M+CH3COO]-	218.139781	175.4
[M+Na-2H]-	180.100596	141.0
[M]+	159.12538142	133.9
[M]-	159.12647858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe