CID 766193

10-methyl-1,4,7-trioxa-10-azacyclododecane

Structural Information

Molecular Formula
C9H19NO3
SMILES
CN1CCOCCOCCOCC1
InChI
InChI=1S/C9H19NO3/c1-10-2-4-11-6-8-13-9-7-12-5-3-10/h2-9H2,1H3
InChIKey
CRKQPRYMKJWTCX-UHFFFAOYSA-N
Compound name
10-methyl-1,4,7-trioxa-10-azacyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

189.13649 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.143766 141.0
[M+Na]+ 212.125708 144.4
[M-H]- 188.129214 141.7
[M+NH4]+ 207.170313 152.0
[M+K]+ 228.099648 148.6
[M+H-H2O]+ 172.133750 137.6
[M+HCOO]- 234.134691 155.0
[M+CH3COO]- 248.150341 174.0
[M+Na-2H]- 210.111156 147.2
[M]+ 189.13594142 135.0
[M]- 189.13703858 135.0
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