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]+ 139.075356 126.4
[M+Na]+ 161.057298 142.3
[M-H]- 137.060804 132.2
[M+NH4]+ 156.101903 145.1
[M+K]+ 177.031238 137.2
[M+H-H2O]+ 121.065340 118.9
[M+HCOO]- 183.066281 145.8
[M+CH3COO]- 197.081931 185.1
[M+Na-2H]- 159.042746 134.1
[M]+ 138.06753142 127.3
[M]- 138.06862858 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

patents stripe