CID 74185

Ethyl 1-(p-methylbenzyl)cyclopropanecarboxylate

Structural Information

Molecular Formula
C14H18O2
SMILES
CCOC(=O)C1(CC1)CC2=CC=C(C=C2)C
InChI
InChI=1S/C14H18O2/c1-3-16-13(15)14(8-9-14)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKey
CMPPICYVULJWRY-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 149.3
[M+Na]+ 241.119898 158.2
[M-H]- 217.123404 157.0
[M+NH4]+ 236.164503 165.1
[M+K]+ 257.093838 156.2
[M+H-H2O]+ 201.127940 143.4
[M+HCOO]- 263.128881 172.1
[M+CH3COO]- 277.144531 191.8
[M+Na-2H]- 239.105346 154.6
[M]+ 218.13013142 154.4
[M]- 218.13122858 154.4
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

No patent data available for this compound.