CID 21643904

132740-55-7

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CC(C)N1CCC(CC1)(CN)O

InChI

InChI=1S/C9H20N2O/c1-8(2)11-5-3-9(12,7-10)4-6-11/h8,12H,3-7,10H2,1-2H3

InChIKey

DAMMODNJHFWQSC-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 172.15756 Da
Monoisotopic Mass: -0.2
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]+	173.164836	141.7
[M+Na]+	195.146778	146.4
[M-H]-	171.150284	141.5
[M+NH4]+	190.191383	161.5
[M+K]+	211.120718	145.1
[M+H-H2O]+	155.154820	136.2
[M+HCOO]-	217.155761	158.7
[M+CH3COO]-	231.171411	180.2
[M+Na-2H]-	193.132226	144.9
[M]+	172.15701142	135.7
[M]-	172.15810858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe