CID 9570254

Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, o-butyloxime

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]+ 218.153946 149.9
[M+Na]+ 240.135888 155.1
[M-H]- 216.139394 155.1
[M+NH4]+ 235.180493 163.5
[M+K]+ 256.109828 156.1
[M+H-H2O]+ 200.143930 138.0
[M+HCOO]- 262.144871 172.6
[M+CH3COO]- 276.160521 198.9
[M+Na-2H]- 238.121336 155.4
[M]+ 217.14612142 161.4
[M]- 217.14721858 161.4
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.