CID 74892108

1778734-54-5

Structural Information

Molecular Formula

SMILES

C1C(CC1CO)CN

InChI

InChI=1S/C6H13NO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4,7H2

InChIKey

MWOHKMZOEUQKBH-UHFFFAOYSA-N

Compound name

[3-(aminomethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 115.09972 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]+	116.106996	124.2
[M+Na]+	138.088938	129.2
[M-H]-	114.092444	126.0
[M+NH4]+	133.133543	139.3
[M+K]+	154.062878	131.2
[M+H-H2O]+	98.096980	114.1
[M+HCOO]-	160.097921	145.3
[M+CH3COO]-	174.113571	173.4
[M+Na-2H]-	136.074386	128.8
[M]+	115.09917142	129.3
[M]-	115.10026858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe