CID 81573358

1501749-81-0

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC1(COCC1N)CO

InChI

InChI=1S/C6H13NO2/c1-6(3-8)4-9-2-5(6)7/h5,8H,2-4,7H2,1H3

InChIKey

PFVARNJSAKTDSL-UHFFFAOYSA-N

Compound name

(4-amino-3-methyloxolan-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 131.09464 Da
Monoisotopic Mass: -0.5
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	125.9
[M+Na]+	154.08386	132.9
[M-H]-	130.08736	128.4
[M+NH4]+	149.12846	149.2
[M+K]+	170.05780	133.0
[M+H-H2O]+	114.09190	122.1
[M+HCOO]-	176.09284	147.6
[M+CH3COO]-	190.10849	169.3
[M+Na-2H]-	152.06931	131.9
[M]+	131.09409	123.0
[M]-	131.09519	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe