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

5
Patents

190.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 140.8
[M+Na]+ 213.08860 150.5
[M-H]- 189.09210 148.9
[M+NH4]+ 208.13320 157.7
[M+K]+ 229.06254 148.9
[M+H-H2O]+ 173.09664 135.2
[M+HCOO]- 235.09758 164.2
[M+CH3COO]- 249.11323 186.1
[M+Na-2H]- 211.07405 147.1
[M]+ 190.09883 145.1
[M]- 190.09993 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