CID 10920972

3,3,3-triethoxyprop-1-yne

Structural Information

Molecular Formula
C9H16O3
SMILES
CCOC(C#C)(OCC)OCC
InChI
InChI=1S/C9H16O3/c1-5-9(10-6-2,11-7-3)12-8-4/h1H,6-8H2,2-4H3
InChIKey
MXIIFPFEQROLEO-UHFFFAOYSA-N
Compound name
3,3,3-triethoxyprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

172.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 136.0
[M+Na]+ 195.09916 144.8
[M-H]- 171.10266 135.7
[M+NH4]+ 190.14376 154.5
[M+K]+ 211.07310 144.6
[M+H-H2O]+ 155.10720 125.6
[M+HCOO]- 217.10814 152.8
[M+CH3COO]- 231.12379 189.1
[M+Na-2H]- 193.08461 141.8
[M]+ 172.10939 136.0
[M]- 172.11049 136.0
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