CID 793954

1-benzoyl-n-cyano-2-pyrrolidinimine

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1CC(=NC#N)N(C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11N3O/c13-9-14-11-7-4-8-15(11)12(16)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey
RTDIEACDIPBELC-UHFFFAOYSA-N
Compound name
(1-benzoylpyrrolidin-2-ylidene)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

213.09021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.097486 149.9
[M+Na]+ 236.079428 158.3
[M-H]- 212.082934 154.7
[M+NH4]+ 231.124033 166.6
[M+K]+ 252.053368 154.0
[M+H-H2O]+ 196.087470 134.9
[M+HCOO]- 258.088411 169.6
[M+CH3COO]- 272.104061 200.3
[M+Na-2H]- 234.064876 152.8
[M]+ 213.08966142 142.3
[M]- 213.09075858 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.