CID 83904941

2230799-82-1

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)CC1(CC1)CN

InChI

InChI=1S/C7H13NO2/c1-10-6(9)4-7(5-8)2-3-7/h2-5,8H2,1H3

InChIKey

HIHVOTUMZIYWKI-UHFFFAOYSA-N

Compound name

methyl 2-[1-(aminomethyl)cyclopropyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 143.09464 Da
Monoisotopic Mass: -0.3
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]+	144.101916	130.8
[M+Na]+	166.083858	139.5
[M-H]-	142.087364	135.3
[M+NH4]+	161.128463	148.9
[M+K]+	182.057798	138.7
[M+H-H2O]+	126.091900	126.2
[M+HCOO]-	188.092841	154.3
[M+CH3COO]-	202.108491	179.0
[M+Na-2H]-	164.069306	137.0
[M]+	143.09409142	133.8
[M]-	143.09518858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe