CID 89888253

4-(methoxymethyl)azepan-4-ol

Structural Information

Molecular Formula
C8H17NO2
SMILES
COCC1(CCCNCC1)O
InChI
InChI=1S/C8H17NO2/c1-11-7-8(10)3-2-5-9-6-4-8/h9-10H,2-7H2,1H3
InChIKey
PHGVBHXNDOCRGU-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)azepan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.12593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 132.1
[M+Na]+ 182.11515 134.9
[M-H]- 158.11865 132.0
[M+NH4]+ 177.15975 150.4
[M+K]+ 198.08909 137.3
[M+H-H2O]+ 142.12319 126.5
[M+HCOO]- 204.12413 148.1
[M+CH3COO]- 218.13978 172.8
[M+Na-2H]- 180.10060 137.6
[M]+ 159.12538 124.3
[M]- 159.12648 124.3
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