CID 165764428

2757999-96-3

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCC1(COCCN1C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C12H21NO4/c1-5-12(8-14)9-16-7-6-13(12)10(15)17-11(2,3)4/h8H,5-7,9H2,1-4H3
InChIKey
KYUXHRKROUFBMH-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethyl-3-formylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 154.8
[M+Na]+ 266.136278 160.7
[M-H]- 242.139784 157.2
[M+NH4]+ 261.180883 171.9
[M+K]+ 282.110218 161.8
[M+H-H2O]+ 226.144320 149.5
[M+HCOO]- 288.145261 170.7
[M+CH3COO]- 302.160911 190.5
[M+Na-2H]- 264.121726 160.1
[M]+ 243.14651142 156.6
[M]- 243.14760858 156.6
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.