CID 3585298

35938-97-7

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCCC2)C

InChI

InChI=1S/C13H18N2O/c1-10-5-6-12(11(2)9-10)14-13(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)

InChIKey

WKKPLFRFVXOUQZ-UHFFFAOYSA-N

Compound name

N-(2,4-dimethylphenyl)pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.1419 Da
Monoisotopic Mass: 2.0
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]+	219.14918	151.0
[M+Na]+	241.13112	157.1
[M-H]-	217.13462	156.3
[M+NH4]+	236.17572	169.8
[M+K]+	257.10506	154.3
[M+H-H2O]+	201.13916	143.5
[M+HCOO]-	263.14010	172.9
[M+CH3COO]-	277.15575	190.0
[M+Na-2H]-	239.11657	152.9
[M]+	218.14135	148.2
[M]-	218.14245	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe