CID 135770297

7,8-dihydro-5-methoxypyrano(2,3-g)indol-9(1h)-one oxime

Structural Information

Molecular Formula
C12H12N2O3
SMILES
COC1=C2C(=C3C(=C1)C=CN3)/C(=N/O)/CCO2
InChI
InChI=1S/C12H12N2O3/c1-16-9-6-7-2-4-13-11(7)10-8(14-15)3-5-17-12(9)10/h2,4,6,13,15H,3,5H2,1H3/b14-8+
InChIKey
UWKVYNNYMWVHHP-RIYZIHGNSA-N
Compound name
(NE)-N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 146.3
[M+Na]+ 255.07402 155.9
[M-H]- 231.07752 150.4
[M+NH4]+ 250.11862 164.9
[M+K]+ 271.04796 153.0
[M+H-H2O]+ 215.08206 139.9
[M+HCOO]- 277.08300 167.0
[M+CH3COO]- 291.09865 159.3
[M+Na-2H]- 253.05947 154.3
[M]+ 232.08425 147.6
[M]- 232.08535 147.6
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

patents stripe