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

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 159.6
[M+Na]+ 268.15192 163.9
[M-H]- 244.15542 159.4
[M+NH4]+ 263.19652 176.8
[M+K]+ 284.12586 164.8
[M+H-H2O]+ 228.15996 154.2
[M+HCOO]- 290.16090 179.4
[M+CH3COO]- 304.17655 197.1
[M+Na-2H]- 266.13737 161.0
[M]+ 245.16215 164.1
[M]- 245.16325 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