CID 2724797

60835-71-4

Structural Information

Molecular Formula
C14H21NO5
SMILES
C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1
InChI
InChI=1S/C14H21NO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10,15H2
InChIKey
CQNGAZMLFIMLQN-UHFFFAOYSA-N
Compound name
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

283.14197 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14925 165.2
[M+Na]+ 306.13119 168.6
[M-H]- 282.13469 170.0
[M+NH4]+ 301.17579 171.2
[M+K]+ 322.10513 173.4
[M+H-H2O]+ 266.13923 162.4
[M+HCOO]- 328.14017 177.5
[M+CH3COO]- 342.15582 174.3
[M+Na-2H]- 304.11664 171.9
[M]+ 283.14142 159.9
[M]- 283.14252 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe