CID 10966732

108149-62-8

Structural Information

Molecular Formula
C12H21NO4
SMILES
C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C12H21NO4/c1-8-9(7-14)13(12(5,6)16-8)10(15)17-11(2,3)4/h7-9H,1-6H3/t8-,9-/m1/s1
InChIKey
KDDCJBFJUBOMOR-RKDXNWHRSA-N
Compound name
tert-butyl (4S,5R)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

243.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 152.0
[M+Na]+ 266.136278 160.6
[M-H]- 242.139784 155.4
[M+NH4]+ 261.180883 171.7
[M+K]+ 282.110218 161.5
[M+H-H2O]+ 226.144320 148.4
[M+HCOO]- 288.145261 170.1
[M+CH3COO]- 302.160911 192.6
[M+Na-2H]- 264.121726 155.3
[M]+ 243.14651142 156.7
[M]- 243.14760858 156.7
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