CID 14585915

1-(boc-amino)-2,3-butadiene

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(C)(C)OC(=O)NCC=C=C
InChI
InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h6H,1,7H2,2-4H3,(H,10,11)
InChIKey
AMRPVMHVZVNBQI-UHFFFAOYSA-N
Compound name
tert-butyl N-buta-2,3-dienylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

169.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 139.0
[M+Na]+ 192.09950 145.6
[M-H]- 168.10300 139.4
[M+NH4]+ 187.14410 159.7
[M+K]+ 208.07344 144.6
[M+H-H2O]+ 152.10754 134.6
[M+HCOO]- 214.10848 161.6
[M+CH3COO]- 228.12413 180.6
[M+Na-2H]- 190.08495 144.3
[M]+ 169.10973 140.0
[M]- 169.11083 140.0
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