CID 127261591

6-((tert-butoxycarbonyl)(methyl)amino)hexanoic acid

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)N(C)CCCCCC(=O)O
InChI
InChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13(4)9-7-5-6-8-10(14)15/h5-9H2,1-4H3,(H,14,15)
InChIKey
NWRXFDQJTBAVMC-UHFFFAOYSA-N
Compound name
6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

245.1627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.8
[M+Na]+ 268.15192 164.8
[M+NH4]+ 263.19652 163.3
[M+K]+ 284.12586 162.5
[M-H]- 244.15542 155.5
[M+Na-2H]- 266.13737 158.9
[M]+ 245.16215 158.2
[M]- 245.16325 158.2
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