CID 10244201

N,n-bis-boc-n-allylamine

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N(CC=C)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-8-9-14(10(15)17-12(2,3)4)11(16)18-13(5,6)7/h8H,1,9H2,2-7H3
InChIKey
YLJIUBLSFUQBSL-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

257.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 161.2
[M+Na]+ 280.15194 167.3
[M+NH4]+ 275.19654 165.4
[M+K]+ 296.12588 165.7
[M-H]- 256.15544 157.5
[M+Na-2H]- 278.13739 161.5
[M]+ 257.16217 160.6
[M]- 257.16327 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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