CID 118352

1-(dimethoxymethyl)hexahydro-1h-azepine

Structural Information

Molecular Formula
C9H19NO2
SMILES
COC(N1CCCCCC1)OC
InChI
InChI=1S/C9H19NO2/c1-11-9(12-2)10-7-5-3-4-6-8-10/h9H,3-8H2,1-2H3
InChIKey
LNCAEXDPLKQRAU-UHFFFAOYSA-N
Compound name
1-(dimethoxymethyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

173.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 133.8
[M+Na]+ 196.13081 136.0
[M-H]- 172.13431 136.0
[M+NH4]+ 191.17541 151.0
[M+K]+ 212.10475 140.5
[M+H-H2O]+ 156.13885 127.3
[M+HCOO]- 218.13979 151.5
[M+CH3COO]- 232.15544 181.9
[M+Na-2H]- 194.11626 137.8
[M]+ 173.14104 129.1
[M]- 173.14214 129.1
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