CID 321628

84779-96-4

Structural Information

Molecular Formula
C13H14NO2P
SMILES
COC1=CC2=NC=C3C(=C2C=C1)CCP3(=O)C
InChI
InChI=1S/C13H14NO2P/c1-16-9-3-4-10-11-5-6-17(2,15)13(11)8-14-12(10)7-9/h3-4,7-8H,5-6H2,1-2H3
InChIKey
ZKCYDVSDIAVMMB-UHFFFAOYSA-N
Compound name
7-methoxy-3-methyl-1,2-dihydrophospholo[2,3-c]quinoline 3-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07622 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08350 153.5
[M+Na]+ 270.06544 163.9
[M-H]- 246.06894 157.0
[M+NH4]+ 265.11004 176.2
[M+K]+ 286.03938 160.3
[M+H-H2O]+ 230.07348 144.6
[M+HCOO]- 292.07442 179.9
[M+CH3COO]- 306.09007 194.5
[M+Na-2H]- 268.05089 156.7
[M]+ 247.07567 156.6
[M]- 247.07677 156.6
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.