CID 63163976

4-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid hydrochloride

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CCN(CC)C1CCN(C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H22N2O2/c1-3-16(4-2)14-9-10-17(11-14)13-7-5-12(6-8-13)15(18)19/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKey
VSRVGBYKGGUNOX-UHFFFAOYSA-N
Compound name
4-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.9
[M+Na]+ 285.15734 167.4
[M-H]- 261.16084 167.7
[M+NH4]+ 280.20194 179.4
[M+K]+ 301.13128 165.2
[M+H-H2O]+ 245.16538 154.8
[M+HCOO]- 307.16632 183.1
[M+CH3COO]- 321.18197 200.4
[M+Na-2H]- 283.14279 162.6
[M]+ 262.16757 161.7
[M]- 262.16867 161.7
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.