CID 155894642

1-ethynyl-3-methoxycyclobutane

Structural Information

Molecular Formula
C7H10O
SMILES
COC1CC(C1)C#C
InChI
InChI=1S/C7H10O/c1-3-6-4-7(5-6)8-2/h1,6-7H,4-5H2,2H3
InChIKey
HKRVWOQUUFHOMA-UHFFFAOYSA-N
Compound name
1-ethynyl-3-methoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 112.7
[M+Na]+ 133.062384 121.4
[M-H]- 109.065890 115.7
[M+NH4]+ 128.106989 127.8
[M+K]+ 149.036324 123.8
[M+H-H2O]+ 93.070426 98.6
[M+HCOO]- 155.071367 129.9
[M+CH3COO]- 169.087017 182.4
[M+Na-2H]- 131.047832 118.8
[M]+ 110.07261742 115.7
[M]- 110.07371458 115.7
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.