CID 212905

25384-42-3

Structural Information

Molecular Formula
C12H23NO4
SMILES
CCCC(C)(CO)COC(=O)N1CCOCC1
InChI
InChI=1S/C12H23NO4/c1-3-4-12(2,9-14)10-17-11(15)13-5-7-16-8-6-13/h14H,3-10H2,1-2H3
InChIKey
JDRCJFGWTFMWAJ-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 159.2
[M+Na]+ 268.15192 162.3
[M-H]- 244.15542 159.2
[M+NH4]+ 263.19652 173.0
[M+K]+ 284.12586 162.7
[M+H-H2O]+ 228.15996 152.5
[M+HCOO]- 290.16090 173.3
[M+CH3COO]- 304.17655 188.7
[M+Na-2H]- 266.13737 163.0
[M]+ 245.16215 159.0
[M]- 245.16325 159.0
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

No patent data available for this compound.