CID 16641259

4-(4-morpholinyl)-1-butanol

Structural Information

Molecular Formula
C8H17NO2
SMILES
C1COCCN1CCCCO
InChI
InChI=1S/C8H17NO2/c10-6-2-1-3-9-4-7-11-8-5-9/h10H,1-8H2
InChIKey
URFFPMJFOHTCLI-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

513
Patents

159.12593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.5
[M+Na]+ 182.11515 140.8
[M-H]- 158.11865 136.8
[M+NH4]+ 177.15975 153.8
[M+K]+ 198.08909 140.8
[M+H-H2O]+ 142.12319 130.0
[M+HCOO]- 204.12413 153.8
[M+CH3COO]- 218.13978 173.3
[M+Na-2H]- 180.10060 142.7
[M]+ 159.12538 133.9
[M]- 159.12648 133.9
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