CID 57661776

247068-82-2

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-9(2)7-10(11(16)14(6)8-18-14)15-12(17)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)/t10-,14+/m0/s1
InChIKey
DDMPMIMTLBGEHT-IINYFYTJSA-N
Compound name
tert-butyl N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

271.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 163.0
[M+Na]+ 294.167558 169.0
[M-H]- 270.171064 167.9
[M+NH4]+ 289.212163 175.2
[M+K]+ 310.141498 170.0
[M+H-H2O]+ 254.175600 158.5
[M+HCOO]- 316.176541 180.3
[M+CH3COO]- 330.192191 204.5
[M+Na-2H]- 292.153006 165.7
[M]+ 271.17779142 170.2
[M]- 271.17888858 170.2
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