CID 65597491

Methyl2-amino-4-cyclopropylbutanoatehydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)C(CCC1CC1)N

InChI

InChI=1S/C8H15NO2/c1-11-8(10)7(9)5-4-6-2-3-6/h6-7H,2-5,9H2,1H3

InChIKey

NBPAUAXMPPGSFX-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-cyclopropylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 157.11028 Da
Monoisotopic Mass: 1.1
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]+	158.117556	134.3
[M+Na]+	180.099498	141.8
[M-H]-	156.103004	138.3
[M+NH4]+	175.144103	149.9
[M+K]+	196.073438	140.1
[M+H-H2O]+	140.107540	128.3
[M+HCOO]-	202.108481	157.0
[M+CH3COO]-	216.124131	183.2
[M+Na-2H]-	178.084946	137.8
[M]+	157.10973142	136.7
[M]-	157.11082858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe