CID 9570251

Brn 2267902

Structural Information

Molecular Formula
C13H15NO
SMILES
C/C(=N\OCC=C)/C1CC2=CC=CC=C12
InChI
InChI=1S/C13H15NO/c1-3-8-15-14-10(2)13-9-11-6-4-5-7-12(11)13/h3-7,13H,1,8-9H2,2H3/b14-10+
InChIKey
HPRZOWDDBBRHCA-GXDHUFHOSA-N
Compound name
(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-prop-2-enoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 143.9
[M+Na]+ 224.10459 149.8
[M-H]- 200.10809 149.4
[M+NH4]+ 219.14919 158.1
[M+K]+ 240.07853 150.5
[M+H-H2O]+ 184.11263 132.3
[M+HCOO]- 246.11357 167.2
[M+CH3COO]- 260.12922 195.1
[M+Na-2H]- 222.09004 150.0
[M]+ 201.11482 154.4
[M]- 201.11592 154.4
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.