CID 67522

1,7-dioxa-4,10-diazacyclododecane

Structural Information

Molecular Formula
C8H18N2O2
SMILES
C1COCCNCCOCCN1
InChI
InChI=1S/C8H18N2O2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h9-10H,1-8H2
InChIKey
PWJHXHMUGFXPSN-UHFFFAOYSA-N
Compound name
1,7-dioxa-4,10-diazacyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

628
Patents

174.13683 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 139.2
[M+Na]+ 197.12605 141.0
[M-H]- 173.12955 134.7
[M+NH4]+ 192.17065 149.0
[M+K]+ 213.09999 142.3
[M+H-H2O]+ 157.13409 134.8
[M+HCOO]- 219.13503 149.9
[M+CH3COO]- 233.15068 165.1
[M+Na-2H]- 195.11150 144.5
[M]+ 174.13628 127.1
[M]- 174.13738 127.1
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