CID 122200626

2-{[(tert-butoxy)carbonyl]amino}-8-oxononanoic acid

Structural Information

Molecular Formula
C14H25NO5
SMILES
CC(=O)CCCCCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO5/c1-10(16)8-6-5-7-9-11(12(17)18)15-13(19)20-14(2,3)4/h11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKey
KZKYSBGFAXFTBU-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.17328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 169.8
[M+Na]+ 310.16250 172.8
[M-H]- 286.16600 167.8
[M+NH4]+ 305.20710 184.4
[M+K]+ 326.13644 172.9
[M+H-H2O]+ 270.17054 164.2
[M+HCOO]- 332.17148 186.9
[M+CH3COO]- 346.18713 202.7
[M+Na-2H]- 308.14795 168.7
[M]+ 287.17273 173.2
[M]- 287.17383 173.2
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

No patent data available for this compound.