CID 5792256

4-[(z)-inden-1-ylidenemethyl]aniline

Structural Information

Molecular Formula
C16H13N
SMILES
C1=CC=C\2C(=C1)C=C/C2=C/C3=CC=C(C=C3)N
InChI
InChI=1S/C16H13N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,17H2/b14-11-
InChIKey
GISMNWZLKDONAA-KAMYIIQDSA-N
Compound name
4-[(Z)-inden-1-ylidenemethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11208 148.5
[M+Na]+ 242.09402 157.2
[M-H]- 218.09752 156.1
[M+NH4]+ 237.13862 169.4
[M+K]+ 258.06796 151.1
[M+H-H2O]+ 202.10206 141.8
[M+HCOO]- 264.10300 173.6
[M+CH3COO]- 278.11865 161.9
[M+Na-2H]- 240.07947 154.0
[M]+ 219.10425 146.2
[M]- 219.10535 146.2
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.