CID 29753

19716-84-8

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CCCCCCC(=O)OC1=CC2=C(C=C1)NC=C2CCN
InChI
InChI=1S/C17H24N2O2/c1-2-3-4-5-6-17(20)21-14-7-8-16-15(11-14)13(9-10-18)12-19-16/h7-8,11-12,19H,2-6,9-10,18H2,1H3
InChIKey
MXZRUQNXSANXGF-UHFFFAOYSA-N
Compound name
[3-(2-aminoethyl)-1H-indol-5-yl] heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 170.6
[M+Na]+ 311.17300 177.3
[M-H]- 287.17650 171.7
[M+NH4]+ 306.21760 186.9
[M+K]+ 327.14694 172.3
[M+H-H2O]+ 271.18104 163.1
[M+HCOO]- 333.18198 191.8
[M+CH3COO]- 347.19763 202.5
[M+Na-2H]- 309.15845 172.5
[M]+ 288.18323 173.5
[M]- 288.18433 173.5
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

patents stripe