CID 12323047

21014-28-8

Structural Information

Molecular Formula
C9H14O2
SMILES
CCOC(=O)/C=C(\C)/C1CC1
InChI
InChI=1S/C9H14O2/c1-3-11-9(10)6-7(2)8-4-5-8/h6,8H,3-5H2,1-2H3/b7-6+
InChIKey
GCWPTUQEFGYCEC-VOTSOKGWSA-N
Compound name
ethyl (E)-3-cyclopropylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 134.7
[M+Na]+ 177.088598 142.9
[M-H]- 153.092104 139.2
[M+NH4]+ 172.133203 151.0
[M+K]+ 193.062538 141.2
[M+H-H2O]+ 137.096640 128.9
[M+HCOO]- 199.097581 156.9
[M+CH3COO]- 213.113231 180.6
[M+Na-2H]- 175.074046 138.4
[M]+ 154.09883142 138.3
[M]- 154.09992858 138.3
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