CID 10856173

Tert-butyl 2-(but-3-yn-1-yloxy)acetate

Structural Information

Molecular Formula
C10H16O3
SMILES
CC(C)(C)OC(=O)COCCC#C
InChI
InChI=1S/C10H16O3/c1-5-6-7-12-8-9(11)13-10(2,3)4/h1H,6-8H2,2-4H3
InChIKey
FZPJSKHIKPHCQG-UHFFFAOYSA-N
Compound name
tert-butyl 2-but-3-ynoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

184.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 141.1
[M+Na]+ 207.09916 149.8
[M-H]- 183.10266 140.9
[M+NH4]+ 202.14376 159.2
[M+K]+ 223.07310 149.1
[M+H-H2O]+ 167.10720 130.7
[M+HCOO]- 229.10814 156.9
[M+CH3COO]- 243.12379 190.4
[M+Na-2H]- 205.08461 145.2
[M]+ 184.10939 140.1
[M]- 184.11049 140.1
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