CID 15428818

Ethyl 3-[(cyclopropylmethyl)amino]propanoate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)CCNCC1CC1

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)5-6-10-7-8-3-4-8/h8,10H,2-7H2,1H3

InChIKey

LJZXBBGJVOZLGH-UHFFFAOYSA-N

Compound name

ethyl 3-(cyclopropylmethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 171.12593 Da
Monoisotopic Mass: 0.7
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]+	172.133206	139.0
[M+Na]+	194.115148	146.3
[M-H]-	170.118654	143.3
[M+NH4]+	189.159753	154.4
[M+K]+	210.089088	144.4
[M+H-H2O]+	154.123190	132.6
[M+HCOO]-	216.124131	162.9
[M+CH3COO]-	230.139781	185.9
[M+Na-2H]-	192.100596	144.2
[M]+	171.12538142	143.3
[M]-	171.12647858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe