CID 9588440

1-pyrrolidinecarboximidic acid, 2-(2,6-dimethylphenyl)hydrazide

Structural Information

Molecular Formula
C13H20N4
SMILES
CC1=C(C(=CC=C1)C)N/N=C(/N)\N2CCCC2
InChI
InChI=1S/C13H20N4/c1-10-6-5-7-11(2)12(10)15-16-13(14)17-8-3-4-9-17/h5-7,15H,3-4,8-9H2,1-2H3,(H2,14,16)
InChIKey
BKTJBWWHINQXAT-UHFFFAOYSA-N
Compound name
N'-(2,6-dimethylanilino)pyrrolidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1688 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17608 154.6
[M+Na]+ 255.15802 159.3
[M-H]- 231.16152 160.6
[M+NH4]+ 250.20262 172.4
[M+K]+ 271.13196 156.5
[M+H-H2O]+ 215.16606 146.0
[M+HCOO]- 277.16700 179.1
[M+CH3COO]- 291.18265 200.0
[M+Na-2H]- 253.14347 156.9
[M]+ 232.16825 149.8
[M]- 232.16935 149.8
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.