CID 9570380

24342-45-8

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CCN(C1)/N=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O/c15-12(11-6-2-1-3-7-11)10-13-14-8-4-5-9-14/h1-3,6-7,10H,4-5,8-9H2/b13-10+
InChIKey
BHSRBJWYRHNBNG-JLHYYAGUSA-N
Compound name
(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 145.1
[M+Na]+ 225.09983 150.3
[M-H]- 201.10333 151.0
[M+NH4]+ 220.14443 164.3
[M+K]+ 241.07377 148.0
[M+H-H2O]+ 185.10787 136.8
[M+HCOO]- 247.10881 168.9
[M+CH3COO]- 261.12446 187.2
[M+Na-2H]- 223.08528 149.3
[M]+ 202.11006 142.3
[M]- 202.11116 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.