CID 9570249

Brn 2457552

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]+ 220.13321 151.0
[M+Na]+ 242.11515 155.5
[M-H]- 218.11865 155.0
[M+NH4]+ 237.15975 163.6
[M+K]+ 258.08909 157.1
[M+H-H2O]+ 202.12319 139.1
[M+HCOO]- 264.12413 171.6
[M+CH3COO]- 278.13978 196.2
[M+Na-2H]- 240.10060 155.1
[M]+ 219.12538 161.0
[M]- 219.12648 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.