CID 16005182

Tert-butyl n-(4-aminobut-2-yn-1-yl)carbamate

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OC(=O)NCC#CCN
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h6-7,10H2,1-3H3,(H,11,12)
InChIKey
AVNMNRILESBVDD-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-aminobut-2-ynyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

184.12119 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 146.7
[M+Na]+ 207.11041 153.9
[M-H]- 183.11391 145.7
[M+NH4]+ 202.15501 163.8
[M+K]+ 223.08435 153.1
[M+H-H2O]+ 167.11845 135.5
[M+HCOO]- 229.11939 163.4
[M+CH3COO]- 243.13504 192.3
[M+Na-2H]- 205.09586 149.8
[M]+ 184.12064 141.0
[M]- 184.12174 141.0
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