CID 24361

Pyrrocaine

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2

InChI

InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17)

InChIKey

OYCGKECKIVYHTN-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 3527
Patents: 232.15756 Da
Monoisotopic Mass: 2.4
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]+	233.164836	155.3
[M+Na]+	255.146778	160.8
[M-H]-	231.150284	160.3
[M+NH4]+	250.191383	173.4
[M+K]+	271.120718	157.8
[M+H-H2O]+	215.154820	147.6
[M+HCOO]-	277.155761	176.8
[M+CH3COO]-	291.171411	193.7
[M+Na-2H]-	253.132226	156.7
[M]+	232.15701142	152.9
[M]-	232.15810858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe