CID 42562155

915919-75-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

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

InChI

InChI=1S/C10H20N2O/c1-8(2)10(13)12-5-3-9(7-11)4-6-12/h8-9H,3-7,11H2,1-2H3

InChIKey

PQGOVIYWZKKVET-UHFFFAOYSA-N

Compound name

1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 184.15756 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]+	185.164836	145.6
[M+Na]+	207.146778	149.4
[M-H]-	183.150284	146.3
[M+NH4]+	202.191383	163.4
[M+K]+	223.120718	148.3
[M+H-H2O]+	167.154820	138.8
[M+HCOO]-	229.155761	162.9
[M+CH3COO]-	243.171411	185.6
[M+Na-2H]-	205.132226	146.3
[M]+	184.15701142	140.0
[M]-	184.15810858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe