CID 45089120

2377869-63-9

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC[C@@H]1C[C@@]1(C(=O)OC)N

InChI

InChI=1S/C7H13NO2/c1-3-5-4-7(5,8)6(9)10-2/h5H,3-4,8H2,1-2H3/t5-,7-/m1/s1

InChIKey

OGJFOUDGUGGQPA-IYSWYEEDSA-N

Compound name

methyl (1R,2R)-1-amino-2-ethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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]+	144.10192	131.0
[M+Na]+	166.08386	141.9
[M+NH4]+	161.12846	140.5
[M+K]+	182.05780	137.4
[M-H]-	142.08736	138.7
[M+Na-2H]-	164.06931	139.0
[M]+	143.09409	135.8
[M]-	143.09519	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe