CID 3017958

1,4-dipropoxybut-2-yne

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCOCC#CCOCCC
InChI
InChI=1S/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-10H2,1-2H3
InChIKey
ZCTCHUYEFFCKCW-UHFFFAOYSA-N
Compound name
1,4-dipropoxybut-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 134.9
[M+Na]+ 193.119898 143.4
[M-H]- 169.123404 134.3
[M+NH4]+ 188.164503 153.7
[M+K]+ 209.093838 141.9
[M+H-H2O]+ 153.127940 124.1
[M+HCOO]- 215.128881 152.7
[M+CH3COO]- 229.144531 188.6
[M+Na-2H]- 191.105346 139.9
[M]+ 170.13013142 134.4
[M]- 170.13122858 134.4
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

No patent data available for this compound.