CID 9570249

Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl, o-(2-hydroxypropyl)oxime

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(CO/N=C(\C)/C1CC2=CC=CC=C12)O
InChI
InChI=1S/C13H17NO2/c1-9(15)8-16-14-10(2)13-7-11-5-3-4-6-12(11)13/h3-6,9,13,15H,7-8H2,1-2H3/b14-10+
InChIKey
VKFNGVQUSMHREJ-GXDHUFHOSA-N
Compound name
1-[(E)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylideneamino]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 151.0
[M+Na]+ 242.115148 155.5
[M-H]- 218.118654 155.0
[M+NH4]+ 237.159753 163.6
[M+K]+ 258.089088 157.1
[M+H-H2O]+ 202.123190 139.1
[M+HCOO]- 264.124131 171.6
[M+CH3COO]- 278.139781 196.2
[M+Na-2H]- 240.100596 155.1
[M]+ 219.12538142 161.0
[M]- 219.12647858 161.0
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.