CID 19019833

1-(2-methoxyethyl)-1,4-diazepane

Structural Information

Molecular Formula
C8H18N2O
SMILES
COCCN1CCCNCC1
InChI
InChI=1S/C8H18N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h9H,2-8H2,1H3
InChIKey
PDGPTNXEAQRUMD-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

158.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 132.2
[M+Na]+ 181.13112 134.7
[M-H]- 157.13462 131.6
[M+NH4]+ 176.17572 148.1
[M+K]+ 197.10506 137.5
[M+H-H2O]+ 141.13916 124.4
[M+HCOO]- 203.14010 148.2
[M+CH3COO]- 217.15575 176.4
[M+Na-2H]- 179.11657 137.2
[M]+ 158.14135 125.0
[M]- 158.14245 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe