CID 65261507

3-{[(tert-butoxy)carbonyl]amino}-2,2,3-trimethylbutanoic acid

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)O
InChI
InChI=1S/C12H23NO4/c1-10(2,3)17-9(16)13-12(6,7)11(4,5)8(14)15/h1-7H3,(H,13,16)(H,14,15)
InChIKey
HKDLSKFRNMSGJO-UHFFFAOYSA-N
Compound name
2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 156.2
[M+Na]+ 268.15192 161.1
[M-H]- 244.15542 155.1
[M+NH4]+ 263.19652 173.0
[M+K]+ 284.12586 161.7
[M+H-H2O]+ 228.15996 152.5
[M+HCOO]- 290.16090 172.4
[M+CH3COO]- 304.17655 194.7
[M+Na-2H]- 266.13737 160.8
[M]+ 245.16215 158.4
[M]- 245.16325 158.4
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.