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]+ 160.133206 132.1
[M+Na]+ 182.115148 134.9
[M-H]- 158.118654 132.0
[M+NH4]+ 177.159753 150.4
[M+K]+ 198.089088 137.3
[M+H-H2O]+ 142.123190 126.5
[M+HCOO]- 204.124131 148.1
[M+CH3COO]- 218.139781 172.8
[M+Na-2H]- 180.100596 137.6
[M]+ 159.12538142 124.3
[M]- 159.12647858 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