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
2
Annotation Hits

0
References

936
Patents

231.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.4
[M+Na]+ 254.13628 157.8
[M-H]- 230.13978 153.6
[M+NH4]+ 249.18088 171.2
[M+K]+ 270.11022 160.0
[M+H-H2O]+ 214.14432 148.6
[M+HCOO]- 276.14526 171.7
[M+CH3COO]- 290.16091 196.1
[M+Na-2H]- 252.12173 153.1
[M]+ 231.14651 156.3
[M]- 231.14761 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

literature stripe

Patent stripe

patents stripe