CID 12323047

2-butenoic acid, 3-cyclopropyl-, ethyl ester, (2e)-

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

9
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.7
[M+Na]+ 177.08860 142.9
[M-H]- 153.09210 139.2
[M+NH4]+ 172.13320 151.0
[M+K]+ 193.06254 141.2
[M+H-H2O]+ 137.09664 128.9
[M+HCOO]- 199.09758 156.9
[M+CH3COO]- 213.11323 180.6
[M+Na-2H]- 175.07405 138.4
[M]+ 154.09883 138.3
[M]- 154.09993 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