CID 118279418

1802630-69-8

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(C)(C1(CCNCC1)O)O

InChI

InChI=1S/C8H17NO2/c1-7(2,10)8(11)3-5-9-6-4-8/h9-11H,3-6H2,1-2H3

InChIKey

ICSKAVDIUYLMNS-UHFFFAOYSA-N

Compound name

4-(2-hydroxypropan-2-yl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	160.133206	138.3
[M+Na]+	182.115148	143.0
[M-H]-	158.118654	135.8
[M+NH4]+	177.159753	157.5
[M+K]+	198.089088	141.0
[M+H-H2O]+	142.123190	134.0
[M+HCOO]-	204.124131	151.8
[M+CH3COO]-	218.139781	168.2
[M+Na-2H]-	180.100596	144.3
[M]+	159.12538142	131.1
[M]-	159.12647858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe