CID 82026931

1176768-61-8

Structural Information

Molecular Formula
C12H15NO2
SMILES
CN(C)C1=CC=CC(=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C12H15NO2/c1-13(2)10-5-3-4-9(8-10)12(6-7-12)11(14)15/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKey
MPWDVWYEFZBRHE-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.0
[M+Na]+ 228.09950 151.6
[M-H]- 204.10300 151.0
[M+NH4]+ 223.14410 158.9
[M+K]+ 244.07344 150.1
[M+H-H2O]+ 188.10754 137.5
[M+HCOO]- 250.10848 166.5
[M+CH3COO]- 264.12413 192.2
[M+Na-2H]- 226.08495 148.6
[M]+ 205.10973 146.3
[M]- 205.11083 146.3
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