CID 2734752

Boc-n-me-aib-oh

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)N(C)C(C)(C)C(=O)O
InChI
InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11(6)10(4,5)7(12)13/h1-6H3,(H,12,13)
InChIKey
KPDLITGXUYMJEC-UHFFFAOYSA-N
Compound name
2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

217.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 149.3
[M+Na]+ 240.12063 155.4
[M+NH4]+ 235.16523 153.8
[M+K]+ 256.09457 154.9
[M-H]- 216.12413 145.5
[M+Na-2H]- 238.10608 149.8
[M]+ 217.13086 148.6
[M]- 217.13196 148.6
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