CID 71756848

2-({[(tert-butoxy)carbonyl]amino}methyl)-2-methylbutanoic acid

Structural Information

Molecular Formula
C11H21NO4
SMILES
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H21NO4/c1-6-11(5,8(13)14)7-12-9(15)16-10(2,3)4/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKey
SEUXPDHPZUFZFQ-UHFFFAOYSA-N
Compound name
2-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 154.2
[M+Na]+ 254.13628 159.1
[M-H]- 230.13978 152.9
[M+NH4]+ 249.18088 171.4
[M+K]+ 270.11022 159.3
[M+H-H2O]+ 214.14432 149.8
[M+HCOO]- 276.14526 172.2
[M+CH3COO]- 290.16091 191.1
[M+Na-2H]- 252.12173 157.9
[M]+ 231.14651 156.5
[M]- 231.14761 156.5
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.