CID 169409

2-(2-methylbut-3-yn-2-yloxy)ethanol

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)(C#C)OCCO
InChI
InChI=1S/C7H12O2/c1-4-7(2,3)9-6-5-8/h1,8H,5-6H2,2-3H3
InChIKey
ITDLQTDXCICMSK-UHFFFAOYSA-N
Compound name
2-(2-methylbut-3-yn-2-yloxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

128.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.7
[M+Na]+ 151.07294 135.4
[M+NH4]+ 146.11754 129.6
[M+K]+ 167.04688 128.1
[M-H]- 127.07644 116.4
[M+Na-2H]- 149.05839 126.6
[M]+ 128.08317 123.5
[M]- 128.08427 123.5
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

patents stripe