CID 176187899

Methyl 2-(1-ethynylcyclopropyl)acetate

Structural Information

Molecular Formula
C8H10O2
SMILES
COC(=O)CC1(CC1)C#C
InChI
InChI=1S/C8H10O2/c1-3-8(4-5-8)6-7(9)10-2/h1H,4-6H2,2H3
InChIKey
WSGZLFLQDNVHHV-UHFFFAOYSA-N
Compound name
methyl 2-(1-ethynylcyclopropyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

138.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 126.4
[M+Na]+ 161.05730 142.3
[M-H]- 137.06080 132.2
[M+NH4]+ 156.10190 145.1
[M+K]+ 177.03124 137.2
[M+H-H2O]+ 121.06534 118.9
[M+HCOO]- 183.06628 145.8
[M+CH3COO]- 197.08193 185.1
[M+Na-2H]- 159.04275 134.1
[M]+ 138.06753 127.3
[M]- 138.06863 127.3
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.