CID 67204833

1450977-70-4

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

C1CC1(C(=O)O)N2CCNCC2

InChI

InChI=1S/C8H14N2O2/c11-7(12)8(1-2-8)10-5-3-9-4-6-10/h9H,1-6H2,(H,11,12)

InChIKey

HDTINWJCIDYFPP-UHFFFAOYSA-N

Compound name

1-piperazin-1-ylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 170.10553 Da
Monoisotopic Mass: -2.7
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]+	171.11281	143.9
[M+Na]+	193.09475	150.6
[M-H]-	169.09825	145.4
[M+NH4]+	188.13935	156.8
[M+K]+	209.06869	148.1
[M+H-H2O]+	153.10279	137.3
[M+HCOO]-	215.10373	158.8
[M+CH3COO]-	229.11938	175.5
[M+Na-2H]-	191.08020	148.4
[M]+	170.10498	139.8
[M]-	170.10608	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe