CID 6437147

Geranyl indole

Structural Information

Molecular Formula
C18H23N
SMILES
CC(=CCC/C(=C/CN1C=CC2=CC=CC=C21)/C)C
InChI
InChI=1S/C18H23N/c1-15(2)7-6-8-16(3)11-13-19-14-12-17-9-4-5-10-18(17)19/h4-5,7,9-12,14H,6,8,13H2,1-3H3/b16-11+
InChIKey
BRAYSEBRLMYPDQ-LFIBNONCSA-N
Compound name
1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.18304 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.19032 164.5
[M+Na]+ 276.17226 171.6
[M-H]- 252.17576 167.2
[M+NH4]+ 271.21686 183.4
[M+K]+ 292.14620 166.2
[M+H-H2O]+ 236.18030 157.3
[M+HCOO]- 298.18124 185.3
[M+CH3COO]- 312.19689 198.0
[M+Na-2H]- 274.15771 166.2
[M]+ 253.18249 166.6
[M]- 253.18359 166.6
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.