CID 145867325

N-(but-3-yn-1-yl)-n-tert-butylacetamide

Structural Information

Molecular Formula
C10H17NO
SMILES
CC(=O)N(CCC#C)C(C)(C)C
InChI
InChI=1S/C10H17NO/c1-6-7-8-11(9(2)12)10(3,4)5/h1H,7-8H2,2-5H3
InChIKey
LFGLAQLNRFYFJW-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-but-3-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.138286 140.9
[M+Na]+ 190.120228 148.9
[M-H]- 166.123734 141.9
[M+NH4]+ 185.164833 159.9
[M+K]+ 206.094168 148.6
[M+H-H2O]+ 150.128270 130.2
[M+HCOO]- 212.129211 157.5
[M+CH3COO]- 226.144861 194.4
[M+Na-2H]- 188.105676 144.1
[M]+ 167.13046142 137.5
[M]- 167.13155858 137.5
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

No patent data available for this compound.