CID 257849

4-(2,4-cyclopentadien-1-ylidenemethyl)-n-methylaniline

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]+ 184.11208 139.6
[M+Na]+ 206.09402 147.1
[M-H]- 182.09752 146.5
[M+NH4]+ 201.13862 161.0
[M+K]+ 222.06796 143.0
[M+H-H2O]+ 166.10206 133.0
[M+HCOO]- 228.10300 166.4
[M+CH3COO]- 242.11865 183.4
[M+Na-2H]- 204.07947 145.5
[M]+ 183.10425 138.1
[M]- 183.10535 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.