CID 13924

1021-91-6

Structural Information

Molecular Formula
C15H11NO
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NO
InChI
InChI=1S/C15H11NO/c17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,17H
InChIKey
LRBLEEPNJOPXOB-UHFFFAOYSA-N
Compound name
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

221.08406 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09134 145.2
[M+Na]+ 244.07328 154.2
[M-H]- 220.07678 152.8
[M+NH4]+ 239.11788 164.8
[M+K]+ 260.04722 153.7
[M+H-H2O]+ 204.08132 140.9
[M+HCOO]- 266.08226 169.7
[M+CH3COO]- 280.09791 158.8
[M+Na-2H]- 242.05873 156.0
[M]+ 221.08351 144.1
[M]- 221.08461 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe