CID 3073730

1-cyanomethyl-2-benzyliminopyrrolidine ethanedioate

Structural Information

Molecular Formula
C13H15N3
SMILES
C1CC(=NCC2=CC=CC=C2)N(C1)CC#N
InChI
InChI=1S/C13H15N3/c14-8-10-16-9-4-7-13(16)15-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7,9-11H2
InChIKey
BKHRSWAWHGLLAV-UHFFFAOYSA-N
Compound name
2-(2-benzyliminopyrrolidin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.1266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.13388 149.2
[M+Na]+ 236.11582 157.4
[M-H]- 212.11932 153.7
[M+NH4]+ 231.16042 166.1
[M+K]+ 252.08976 152.4
[M+H-H2O]+ 196.12386 134.1
[M+HCOO]- 258.12480 169.2
[M+CH3COO]- 272.14045 201.8
[M+Na-2H]- 234.10127 152.9
[M]+ 213.12605 142.0
[M]- 213.12715 142.0
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.