CID 639964

Ethyl 3-cyclopropylprop-2-ynoate

Structural Information

Molecular Formula
C8H10O2
SMILES
CCOC(=O)C#CC1CC1
InChI
InChI=1S/C8H10O2/c1-2-10-8(9)6-5-7-3-4-7/h7H,2-4H2,1H3
InChIKey
YQKWSKCBPAMHEJ-UHFFFAOYSA-N
Compound name
ethyl 3-cyclopropylprop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

138.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 125.6
[M+Na]+ 161.05730 140.8
[M-H]- 137.06080 131.0
[M+NH4]+ 156.10190 142.6
[M+K]+ 177.03124 135.5
[M+H-H2O]+ 121.06534 116.9
[M+HCOO]- 183.06628 145.3
[M+CH3COO]- 197.08193 184.3
[M+Na-2H]- 159.04275 132.4
[M]+ 138.06753 125.9
[M]- 138.06863 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe