CID 10422029

(s)-2-(boc-amino)-n-methoxy-n-methylbutyramide

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CC[C@@H](C(=O)N(C)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O4/c1-7-8(9(14)13(5)16-6)12-10(15)17-11(2,3)4/h8H,7H2,1-6H3,(H,12,15)/t8-/m0/s1
InChIKey
UETSWVCUPQBUGT-QMMMGPOBSA-N
Compound name
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

246.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 158.5
[M+Na]+ 269.14718 162.6
[M-H]- 245.15068 160.0
[M+NH4]+ 264.19178 176.0
[M+K]+ 285.12112 165.2
[M+H-H2O]+ 229.15522 152.7
[M+HCOO]- 291.15616 180.2
[M+CH3COO]- 305.17181 202.0
[M+Na-2H]- 267.13263 160.0
[M]+ 246.15741 163.0
[M]- 246.15851 163.0
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