CID 90344576

Methyl 4-(1-methylcyclopropyl)benzoate

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CC1)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C12H14O2/c1-12(7-8-12)10-5-3-9(4-6-10)11(13)14-2/h3-6H,7-8H2,1-2H3
InChIKey
CUQDWIAYXSVOKJ-UHFFFAOYSA-N
Compound name
methyl 4-(1-methylcyclopropyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.8
[M+Na]+ 213.088598 150.5
[M-H]- 189.092104 148.9
[M+NH4]+ 208.133203 157.7
[M+K]+ 229.062538 148.9
[M+H-H2O]+ 173.096640 135.2
[M+HCOO]- 235.097581 164.2
[M+CH3COO]- 249.113231 186.1
[M+Na-2H]- 211.074046 147.1
[M]+ 190.09883142 145.1
[M]- 190.09992858 145.1
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