CID 12745426

1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonitrile

Structural Information

Molecular Formula
C11H20N2O4
SMILES
C1COCCOCCOCCOCCN1C#N
InChI
InChI=1S/C11H20N2O4/c12-11-13-1-3-14-5-7-16-9-10-17-8-6-15-4-2-13/h1-10H2
InChIKey
ZXFBJJNPLKHAKE-UHFFFAOYSA-N
Compound name
1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 143.8
[M+Na]+ 267.131518 148.7
[M-H]- 243.135024 144.2
[M+NH4]+ 262.176123 149.8
[M+K]+ 283.105458 151.6
[M+H-H2O]+ 227.139560 132.9
[M+HCOO]- 289.140501 152.7
[M+CH3COO]- 303.156151 193.2
[M+Na-2H]- 265.116966 149.5
[M]+ 244.14175142 132.7
[M]- 244.14284858 132.7
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.