CID 10083961

87694-52-8

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CC(C)[C@@H](C(=O)N(C)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O4/c1-8(2)9(10(15)14(6)17-7)13-11(16)18-12(3,4)5/h8-9H,1-7H3,(H,13,16)/t9-/m0/s1
InChIKey
RRBFCGUIFHFYQK-VIFPVBQESA-N
Compound name
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

260.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.180876 162.7
[M+Na]+ 283.162818 166.2
[M-H]- 259.166324 164.0
[M+NH4]+ 278.207423 179.6
[M+K]+ 299.136758 169.1
[M+H-H2O]+ 243.170860 156.8
[M+HCOO]- 305.171801 183.1
[M+CH3COO]- 319.187451 206.0
[M+Na-2H]- 281.148266 162.5
[M]+ 260.17305142 166.9
[M]- 260.17414858 166.9
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