CID 11083951

40842-04-4

Structural Information

Molecular Formula
C8H10O2
SMILES
C#CCOCCOCC#C
InChI
InChI=1S/C8H10O2/c1-3-5-9-7-8-10-6-4-2/h1-2H,5-8H2
InChIKey
RNHWCSPBGKGOLM-UHFFFAOYSA-N
Compound name
3-(2-prop-2-ynoxyethoxy)prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

138.06808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 135.9
[M+Na]+ 161.05730 145.8
[M-H]- 137.06080 137.0
[M+NH4]+ 156.10190 150.4
[M+K]+ 177.03124 143.6
[M+H-H2O]+ 121.06534 123.0
[M+HCOO]- 183.06628 146.5
[M+CH3COO]- 197.08193 203.7
[M+Na-2H]- 159.04275 139.3
[M]+ 138.06753 130.4
[M]- 138.06863 130.4
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

patents stripe