CID 4645420

1-methoxy-3-(morpholin-4-yl)propan-2-ol

Structural Information

Molecular Formula
C8H17NO3
SMILES
COCC(CN1CCOCC1)O
InChI
InChI=1S/C8H17NO3/c1-11-7-8(10)6-9-2-4-12-5-3-9/h8,10H,2-7H2,1H3
InChIKey
DLSNTVMQVUYYRE-UHFFFAOYSA-N
Compound name
1-methoxy-3-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

175.12085 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 139.8
[M+Na]+ 198.110068 143.7
[M-H]- 174.113574 140.1
[M+NH4]+ 193.154673 156.2
[M+K]+ 214.084008 144.7
[M+H-H2O]+ 158.118110 133.1
[M+HCOO]- 220.119051 156.2
[M+CH3COO]- 234.134701 176.3
[M+Na-2H]- 196.095516 144.7
[M]+ 175.12030142 137.9
[M]- 175.12139858 137.9
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