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

24
Patents

184.12119 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 146.7
[M+Na]+ 207.110408 153.9
[M-H]- 183.113914 145.7
[M+NH4]+ 202.155013 163.8
[M+K]+ 223.084348 153.1
[M+H-H2O]+ 167.118450 135.5
[M+HCOO]- 229.119391 163.4
[M+CH3COO]- 243.135041 192.3
[M+Na-2H]- 205.095856 149.8
[M]+ 184.12064142 141.0
[M]- 184.12173858 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