CID 544820

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

Structural Information

Molecular Formula
C10H21NO4
SMILES
C1COCCOCCOCCOCCN1
InChI
InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
InChIKey
BJUOQSZSDIHZNP-UHFFFAOYSA-N
Compound name
1,4,7,10-tetraoxa-13-azacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1793
Patents

219.14706 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15434 149.2
[M+Na]+ 242.13628 150.0
[M-H]- 218.13978 149.2
[M+NH4]+ 237.18088 156.0
[M+K]+ 258.11022 154.6
[M+H-H2O]+ 202.14432 145.8
[M+HCOO]- 264.14526 159.2
[M+CH3COO]- 278.16091 173.3
[M+Na-2H]- 240.12173 155.0
[M]+ 219.14651 139.7
[M]- 219.14761 139.7
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