CID 154703793

5-adamantyl-iaa

Structural Information

Molecular Formula
C20H23NO2
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC=C5CC(=O)O
InChI
InChI=1S/C20H23NO2/c22-19(23)6-15-11-21-18-2-1-16(7-17(15)18)20-8-12-3-13(9-20)5-14(4-12)10-20/h1-2,7,11-14,21H,3-6,8-10H2,(H,22,23)
InChIKey
YVLXUUNCRVEHPG-UHFFFAOYSA-N
Compound name
2-[5-(1-adamantyl)-1H-indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

309.17288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 168.6
[M+Na]+ 332.16210 171.2
[M-H]- 308.16560 164.4
[M+NH4]+ 327.20670 189.8
[M+K]+ 348.13604 164.6
[M+H-H2O]+ 292.17014 160.2
[M+HCOO]- 354.17108 171.8
[M+CH3COO]- 368.18673 175.2
[M+Na-2H]- 330.14755 175.6
[M]+ 309.17233 168.2
[M]- 309.17343 168.2
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