CID 22487663

2-{4-[(tert-butoxy)carbonyl]morpholin-3-yl}acetic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CCOCC1CC(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
QVOPNRRQHPWQMF-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

245.12633 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.9
[M+Na]+ 268.11555 159.5
[M-H]- 244.11905 155.7
[M+NH4]+ 263.16015 168.9
[M+K]+ 284.08949 160.6
[M+H-H2O]+ 228.12359 148.8
[M+HCOO]- 290.12453 168.8
[M+CH3COO]- 304.14018 188.5
[M+Na-2H]- 266.10100 157.7
[M]+ 245.12578 154.9
[M]- 245.12688 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe