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]+ 238.16759 159.8
[M+Na]+ 260.14953 161.6
[M-H]- 236.15303 162.7
[M+NH4]+ 255.19413 170.8
[M+K]+ 276.12347 154.8
[M+H-H2O]+ 220.15757 153.1
[M+HCOO]- 282.15851 172.0
[M+CH3COO]- 296.17416 179.7
[M+Na-2H]- 258.13498 165.9
[M]+ 237.15976 151.3
[M]- 237.16086 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.