CID 21490240

(3-methylmorpholin-3-yl)methanol

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC1(COCCN1)CO

InChI

InChI=1S/C6H13NO2/c1-6(4-8)5-9-3-2-7-6/h7-8H,2-5H2,1H3

InChIKey

SSORWURPGGJYEL-UHFFFAOYSA-N

Compound name

(3-methylmorpholin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 131.09464 Da
Monoisotopic Mass: -1.0
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]+	132.10192	127.8
[M+Na]+	154.08386	137.9
[M+NH4]+	149.12846	137.0
[M+K]+	170.05780	131.6
[M-H]-	130.08736	129.2
[M+Na-2H]-	152.06931	133.1
[M]+	131.09409	129.5
[M]-	131.09519	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe