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]+ 176.12813 139.8
[M+Na]+ 198.11007 143.7
[M-H]- 174.11357 140.1
[M+NH4]+ 193.15467 156.2
[M+K]+ 214.08401 144.7
[M+H-H2O]+ 158.11811 133.1
[M+HCOO]- 220.11905 156.2
[M+CH3COO]- 234.13470 176.3
[M+Na-2H]- 196.09552 144.7
[M]+ 175.12030 137.9
[M]- 175.12140 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