CID 4321832

10-{[(tert-butoxy)carbonyl]amino}decanoic acid

Structural Information

Molecular Formula
C15H29NO4
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H29NO4/c1-15(2,3)20-14(19)16-12-10-8-6-4-5-7-9-11-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
DUNPXMOBBKBKHK-UHFFFAOYSA-N
Compound name
10-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

287.20966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21694 174.1
[M+Na]+ 310.19888 176.9
[M-H]- 286.20238 171.7
[M+NH4]+ 305.24348 188.9
[M+K]+ 326.17282 175.6
[M+H-H2O]+ 270.20692 168.1
[M+HCOO]- 332.20786 192.3
[M+CH3COO]- 346.22351 202.7
[M+Na-2H]- 308.18433 174.6
[M]+ 287.20911 178.4
[M]- 287.21021 178.4
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

patents stripe