CID 393480

Nsc695553

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C1CCN(C1)CCOC(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C15H18N2O2/c18-15(19-10-9-17-7-3-4-8-17)14-11-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,16H,3-4,7-10H2
InChIKey
VMFWCCVHKRFNDN-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 159.7
[M+Na]+ 281.12606 166.3
[M-H]- 257.12956 163.3
[M+NH4]+ 276.17066 177.4
[M+K]+ 297.10000 162.3
[M+H-H2O]+ 241.13410 151.7
[M+HCOO]- 303.13504 179.2
[M+CH3COO]- 317.15069 170.9
[M+Na-2H]- 279.11151 161.3
[M]+ 258.13629 159.1
[M]- 258.13739 159.1
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

No patent data available for this compound.