CID 137459617

2400937-90-6

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CN1CCCC1/C=C/C(=O)O

InChI

InChI=1S/C8H13NO2/c1-9-6-2-3-7(9)4-5-8(10)11/h4-5,7H,2-3,6H2,1H3,(H,10,11)/b5-4+

InChIKey

KKGNNTRMDRNYDJ-SNAWJCMRSA-N

Compound name

(E)-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 155.09464 Da
Monoisotopic Mass: -1.7
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]+	156.10192	134.7
[M+Na]+	178.08386	141.2
[M-H]-	154.08736	135.2
[M+NH4]+	173.12846	155.4
[M+K]+	194.05780	139.6
[M+H-H2O]+	138.09190	129.0
[M+HCOO]-	200.09284	154.4
[M+CH3COO]-	214.10849	172.7
[M+Na-2H]-	176.06931	136.7
[M]+	155.09409	131.8
[M]-	155.09519	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe