CID 9570254

Brn 2452946

Structural Information

Molecular Formula
C14H19NO
SMILES
CCCCO/N=C(\C)/C1CC2=CC=CC=C12
InChI
InChI=1S/C14H19NO/c1-3-4-9-16-15-11(2)14-10-12-7-5-6-8-13(12)14/h5-8,14H,3-4,9-10H2,1-2H3/b15-11+
InChIKey
QPISRRRYGOHYGI-RVDMUPIBSA-N
Compound name
(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-butoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.1
[M+Na]+ 240.13589 157.4
[M+NH4]+ 235.18049 155.1
[M+K]+ 256.10983 151.8
[M-H]- 216.13939 150.5
[M+Na-2H]- 238.12134 153.5
[M]+ 217.14612 150.0
[M]- 217.14722 150.0
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.