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

59
Patents

257.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 159.8
[M+Na]+ 280.151938 165.2
[M-H]- 256.155444 161.5
[M+NH4]+ 275.196543 177.7
[M+K]+ 296.125878 166.7
[M+H-H2O]+ 240.159980 155.1
[M+HCOO]- 302.160921 179.6
[M+CH3COO]- 316.176571 200.2
[M+Na-2H]- 278.137386 162.7
[M]+ 257.16217142 165.3
[M]- 257.16326858 165.3
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

patents stripe