CID 10755713

211185-89-6

Structural Information

Molecular Formula
C14H25NO5
SMILES
CC(C)(C)OC(=O)CC[C@@H](C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO5/c1-13(2,3)19-11(17)8-7-10(9-16)15-12(18)20-14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,18)/t10-/m0/s1
InChIKey
LDUGHSSAMOWUMF-JTQLQIEISA-N
Compound name
tert-butyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

287.17328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 167.8
[M+Na]+ 310.16250 172.1
[M-H]- 286.16600 167.7
[M+NH4]+ 305.20710 183.5
[M+K]+ 326.13644 173.1
[M+H-H2O]+ 270.17054 162.9
[M+HCOO]- 332.17148 185.9
[M+CH3COO]- 346.18713 203.4
[M+Na-2H]- 308.14795 169.8
[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

patents stripe