CID 21848726

Ethyl 2-cyclopropylprop-2-enoate

Structural Information

Molecular Formula
C8H12O2
SMILES
CCOC(=O)C(=C)C1CC1
InChI
InChI=1S/C8H12O2/c1-3-10-8(9)6(2)7-4-5-7/h7H,2-5H2,1H3
InChIKey
JKVGLCVPMJGART-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopropylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

140.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.1
[M+Na]+ 163.07294 138.7
[M-H]- 139.07644 134.8
[M+NH4]+ 158.11754 146.9
[M+K]+ 179.04688 137.2
[M+H-H2O]+ 123.08098 124.5
[M+HCOO]- 185.08192 152.6
[M+CH3COO]- 199.09757 178.4
[M+Na-2H]- 161.05839 134.4
[M]+ 140.08317 133.5
[M]- 140.08427 133.5
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