CID 155858978

1321628-00-5

Structural Information

Molecular Formula
C10H16O3
SMILES
C=CCOCCOCCOCC#C
InChI
InChI=1S/C10H16O3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h1,4H,2,5-10H2
InChIKey
NTKCQUXITLVLSM-UHFFFAOYSA-N
Compound name
3-[2-(2-prop-2-ynoxyethoxy)ethoxy]prop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 136.0
[M+Na]+ 207.09916 144.5
[M-H]- 183.10266 135.3
[M+NH4]+ 202.14376 153.9
[M+K]+ 223.07310 142.9
[M+H-H2O]+ 167.10720 124.9
[M+HCOO]- 229.10814 154.2
[M+CH3COO]- 243.12379 190.7
[M+Na-2H]- 205.08461 141.0
[M]+ 184.10939 136.3
[M]- 184.11049 136.3
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.