CID 10891497

177899-21-7

Structural Information

Molecular Formula
C14H25NO5
SMILES
CC(C)(C)OC(=O)N(CCCC=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO5/c1-13(2,3)19-11(17)15(9-7-8-10-16)12(18)20-14(4,5)6/h10H,7-9H2,1-6H3
InChIKey
XTTSZLHDKBNNRZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

287.17328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 167.6
[M+Na]+ 310.16250 173.0
[M+NH4]+ 305.20710 171.0
[M+K]+ 326.13644 171.8
[M-H]- 286.16600 163.3
[M+Na-2H]- 308.14795 167.3
[M]+ 287.17273 166.7
[M]- 287.17383 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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