CID 4634038

1-(hydroxymethyleneamino)-8-hydroxy-octane

Structural Information

Molecular Formula
C9H21NO2
SMILES
C(CCCCO)CCCNCO
InChI
InChI=1S/C9H21NO2/c11-8-6-4-2-1-3-5-7-10-9-12/h10-12H,1-9H2
InChIKey
SJEVZMRZAJQYFZ-UHFFFAOYSA-N
Compound name
8-(hydroxymethylamino)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.15723 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.16451 143.2
[M+Na]+ 198.14645 147.4
[M-H]- 174.14995 139.9
[M+NH4]+ 193.19105 161.8
[M+K]+ 214.12039 145.4
[M+H-H2O]+ 158.15449 137.8
[M+HCOO]- 220.15543 164.5
[M+CH3COO]- 234.17108 179.8
[M+Na-2H]- 196.13190 147.8
[M]+ 175.15668 143.9
[M]- 175.15778 143.9
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

No patent data available for this compound.