CID 211543

23340-11-6

Structural Information

Molecular Formula
C14H21N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCN(N2C)C
InChI
InChI=1S/C14H21N3O/c1-10-6-5-7-11(2)13(10)15-14(18)12-8-9-16(3)17(12)4/h5-7,12H,8-9H2,1-4H3,(H,15,18)
InChIKey
HKFAFUJLRDYWCQ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.175736 159.6
[M+Na]+ 270.157678 167.0
[M-H]- 246.161184 164.0
[M+NH4]+ 265.202283 176.3
[M+K]+ 286.131618 163.8
[M+H-H2O]+ 230.165720 151.5
[M+HCOO]- 292.166661 179.7
[M+CH3COO]- 306.182311 198.9
[M+Na-2H]- 268.143126 159.5
[M]+ 247.16791142 158.5
[M]- 247.16900858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.