CID 257849

2769-09-7

Structural Information

Molecular Formula
C13H13N
SMILES
CNC1=CC=C(C=C1)C=C2C=CC=C2
InChI
InChI=1S/C13H13N/c1-14-13-8-6-12(7-9-13)10-11-4-2-3-5-11/h2-10,14H,1H3
InChIKey
DUTYFFLEPMIKDH-UHFFFAOYSA-N
Compound name
4-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.1048 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.112076 139.6
[M+Na]+ 206.094018 147.1
[M-H]- 182.097524 146.5
[M+NH4]+ 201.138623 161.0
[M+K]+ 222.067958 143.0
[M+H-H2O]+ 166.102060 133.0
[M+HCOO]- 228.103001 166.4
[M+CH3COO]- 242.118651 183.4
[M+Na-2H]- 204.079466 145.5
[M]+ 183.10425142 138.1
[M]- 183.10534858 138.1
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.