CID 44858

63867-23-2

Structural Information

Molecular Formula
C9H17NO3
SMILES
COC(=O)CCCN1CCOCC1
InChI
InChI=1S/C9H17NO3/c1-12-9(11)3-2-4-10-5-7-13-8-6-10/h2-8H2,1H3
InChIKey
QZYHXBPEHSABEW-UHFFFAOYSA-N
Compound name
methyl 4-morpholin-4-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

187.12085 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 142.5
[M+Na]+ 210.110068 146.8
[M-H]- 186.113574 144.1
[M+NH4]+ 205.154673 159.2
[M+K]+ 226.084008 147.9
[M+H-H2O]+ 170.118110 135.5
[M+HCOO]- 232.119051 160.4
[M+CH3COO]- 246.134701 180.4
[M+Na-2H]- 208.095516 147.4
[M]+ 187.12030142 142.1
[M]- 187.12139858 142.1
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