CID 4212960

41775-36-4

Structural Information

Molecular Formula
C12H26N2O4
SMILES
C1COCCNCCOCCOCCOCCN1
InChI
InChI=1S/C12H26N2O4/c1-5-15-6-2-14-4-8-17-10-12-18-11-9-16-7-3-13-1/h13-14H,1-12H2
InChIKey
PMPXWUQZYKQHAD-UHFFFAOYSA-N
Compound name
1,4,7,13-tetraoxa-10,16-diazacyclooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
Patents

262.18927 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19655 161.6
[M+Na]+ 285.17849 160.5
[M-H]- 261.18199 159.2
[M+NH4]+ 280.22309 164.1
[M+K]+ 301.15243 163.8
[M+H-H2O]+ 245.18653 157.1
[M+HCOO]- 307.18747 166.7
[M+CH3COO]- 321.20312 167.2
[M+Na-2H]- 283.16394 164.9
[M]+ 262.18872 147.9
[M]- 262.18982 147.9
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