CID 3662641

159279-78-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CC1(C(=O)OC)N)C

InChI

InChI=1S/C7H13NO2/c1-6(2)4-7(6,8)5(9)10-3/h4,8H2,1-3H3

InChIKey

GQIMUGKTLQYUKA-UHFFFAOYSA-N

Compound name

methyl 1-amino-2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 143.09464 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]+	144.101916	129.4
[M+Na]+	166.083858	139.7
[M-H]-	142.087364	134.6
[M+NH4]+	161.128463	149.7
[M+K]+	182.057798	139.7
[M+H-H2O]+	126.091900	126.7
[M+HCOO]-	188.092841	152.4
[M+CH3COO]-	202.108491	179.9
[M+Na-2H]-	164.069306	136.2
[M]+	143.09409142	133.4
[M]-	143.09518858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe