CID 67718367

Tert-butyl 2-(3-hydroxypropyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CCCO
InChI
InChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13-6-8-16-10(9-13)5-4-7-14/h10,14H,4-9H2,1-3H3
InChIKey
KYMQUHWGJBYVCX-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-hydroxypropyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

245.1627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 159.1
[M+Na]+ 268.151918 163.2
[M-H]- 244.155424 159.6
[M+NH4]+ 263.196523 173.3
[M+K]+ 284.125858 163.6
[M+H-H2O]+ 228.159960 152.7
[M+HCOO]- 290.160901 173.2
[M+CH3COO]- 304.176551 189.3
[M+Na-2H]- 266.137366 162.3
[M]+ 245.16215142 159.2
[M]- 245.16324858 159.2
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