CID 7010608

45170-31-8

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)/t8-/m0/s1
InChIKey
XPUAXAVJMJDPDH-QMMMGPOBSA-N
Compound name
(2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

795
Patents

231.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 153.4
[M+Na]+ 254.136278 157.8
[M-H]- 230.139784 153.6
[M+NH4]+ 249.180883 171.2
[M+K]+ 270.110218 160.0
[M+H-H2O]+ 214.144320 148.6
[M+HCOO]- 276.145261 171.7
[M+CH3COO]- 290.160911 196.1
[M+Na-2H]- 252.121726 153.1
[M]+ 231.14651142 156.3
[M]- 231.14760858 156.3
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.