CID 64138051

2825005-86-3

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC1(CC(CCO1)(CO)N)C

InChI

InChI=1S/C8H17NO2/c1-7(2)5-8(9,6-10)3-4-11-7/h10H,3-6,9H2,1-2H3

InChIKey

VYVXUOZFAODJMF-UHFFFAOYSA-N

Compound name

(4-amino-2,2-dimethyloxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.12593 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]+	160.13321	134.0
[M+Na]+	182.11515	143.3
[M+NH4]+	177.15975	144.8
[M+K]+	198.08909	135.3
[M-H]-	158.11865	136.8
[M+Na-2H]-	180.10060	140.6
[M]+	159.12538	136.2
[M]-	159.12648	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.