CID 43608567

3-[(oxan-4-yl)amino]propan-1-ol

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1COCCC1NCCCO

InChI

InChI=1S/C8H17NO2/c10-5-1-4-9-8-2-6-11-7-3-8/h8-10H,1-7H2

InChIKey

HZTDXBCIFQPDQA-UHFFFAOYSA-N

Compound name

3-(oxan-4-ylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 159.12593 Da
Monoisotopic Mass: 0.4
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	135.9
[M+Na]+	182.115148	139.2
[M-H]-	158.118654	137.6
[M+NH4]+	177.159753	154.1
[M+K]+	198.089088	139.2
[M+H-H2O]+	142.123190	129.9
[M+HCOO]-	204.124131	155.4
[M+CH3COO]-	218.139781	175.6
[M+Na-2H]-	180.100596	142.4
[M]+	159.12538142	131.9
[M]-	159.12647858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe