CID 6437951

Morpholinium, 4-(5-morpholino-2,4-pentadienylidene)-, chloride, dihydrate

Structural Information

Molecular Formula
C13H21N2O2
SMILES
C1COCCN1/C=C/C=C/C=[N+]2CCOCC2
InChI
InChI=1S/C13H21N2O2/c1(2-4-14-6-10-16-11-7-14)3-5-15-8-12-17-13-9-15/h1-5H,6-13H2/q+1
InChIKey
ANBCFTYDSNRARM-UHFFFAOYSA-N
Compound name
4-[(1E,3E)-5-morpholin-4-ium-4-ylidenepenta-1,3-dienyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.167586 159.8
[M+Na]+ 260.149528 161.6
[M-H]- 236.153034 162.7
[M+NH4]+ 255.194133 170.8
[M+K]+ 276.123468 154.8
[M+H-H2O]+ 220.157570 153.1
[M+HCOO]- 282.158511 172.0
[M+CH3COO]- 296.174161 179.7
[M+Na-2H]- 258.134976 165.9
[M]+ 237.15976142 151.3
[M]- 237.16085858 151.3
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.