CID 127261591

6-{[(tert-butoxy)carbonyl](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

8
Patents

245.1627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 159.6
[M+Na]+ 268.151918 163.9
[M-H]- 244.155424 159.4
[M+NH4]+ 263.196523 176.8
[M+K]+ 284.125858 164.8
[M+H-H2O]+ 228.159960 154.2
[M+HCOO]- 290.160901 179.4
[M+CH3COO]- 304.176551 197.1
[M+Na-2H]- 266.137366 161.0
[M]+ 245.16215142 164.1
[M]- 245.16324858 164.1
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