CID 43394187

3-(2-methylmorpholin-4-yl)propan-1-ol

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC1CN(CCO1)CCCO
InChI
InChI=1S/C8H17NO2/c1-8-7-9(3-2-5-10)4-6-11-8/h8,10H,2-7H2,1H3
InChIKey
ULYPGBJCDDQWBE-UHFFFAOYSA-N
Compound name
3-(2-methylmorpholin-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.12593 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.4
[M+Na]+ 182.11515 141.7
[M-H]- 158.11865 137.1
[M+NH4]+ 177.15975 154.0
[M+K]+ 198.08909 141.7
[M+H-H2O]+ 142.12319 130.2
[M+HCOO]- 204.12413 153.7
[M+CH3COO]- 218.13978 174.5
[M+Na-2H]- 180.10060 141.9
[M]+ 159.12538 134.2
[M]- 159.12648 134.2
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