CID 4306222

4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethylbutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

231.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.2
[M+Na]+ 254.136278 159.1
[M-H]- 230.139784 152.9
[M+NH4]+ 249.180883 171.4
[M+K]+ 270.110218 159.3
[M+H-H2O]+ 214.144320 149.8
[M+HCOO]- 276.145261 172.2
[M+CH3COO]- 290.160911 191.1
[M+Na-2H]- 252.121726 157.9
[M]+ 231.14651142 156.5
[M]- 231.14760858 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

patents stripe