CID 4914

Procaine

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKey
MFDFERRIHVXMIY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

10440
References

40767
Patents

236.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.6
[M+Na]+ 259.14170 161.6
[M-H]- 235.14520 160.7
[M+NH4]+ 254.18630 174.2
[M+K]+ 275.11564 160.7
[M+H-H2O]+ 219.14974 149.2
[M+HCOO]- 281.15068 181.4
[M+CH3COO]- 295.16633 200.6
[M+Na-2H]- 257.12715 159.4
[M]+ 236.15193 158.5
[M]- 236.15303 158.5
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.