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

19
Patents

245.1627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 159.1
[M+Na]+ 268.15192 163.2
[M-H]- 244.15542 159.6
[M+NH4]+ 263.19652 173.3
[M+K]+ 284.12586 163.6
[M+H-H2O]+ 228.15996 152.7
[M+HCOO]- 290.16090 173.2
[M+CH3COO]- 304.17655 189.3
[M+Na-2H]- 266.13737 162.3
[M]+ 245.16215 159.2
[M]- 245.16325 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