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]+ 218.15395 149.9
[M+Na]+ 240.13589 155.1
[M-H]- 216.13939 155.1
[M+NH4]+ 235.18049 163.5
[M+K]+ 256.10983 156.1
[M+H-H2O]+ 200.14393 138.0
[M+HCOO]- 262.14487 172.6
[M+CH3COO]- 276.16052 198.9
[M+Na-2H]- 238.12134 155.4
[M]+ 217.14612 161.4
[M]- 217.14722 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.