CID 9570405

25555-20-8

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1=CC=C(C=C1)C(=O)/C=N/N2CCCC2
InChI
InChI=1S/C13H16N2O/c1-11-4-6-12(7-5-11)13(16)10-14-15-8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3/b14-10+
InChIKey
MOBDBLHEYROYRS-GXDHUFHOSA-N
Compound name
(2E)-1-(4-methylphenyl)-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.5
[M+Na]+ 239.11549 155.2
[M-H]- 215.11899 155.7
[M+NH4]+ 234.16009 168.5
[M+K]+ 255.08943 152.7
[M+H-H2O]+ 199.12353 141.4
[M+HCOO]- 261.12447 173.0
[M+CH3COO]- 275.14012 191.3
[M+Na-2H]- 237.10094 152.5
[M]+ 216.12572 147.5
[M]- 216.12682 147.5
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.