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

2
Annotation Hits: 0
References: 2
Patents: 253.18304 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.190316	164.5
[M+Na]+	276.172258	171.6
[M-H]-	252.175764	167.2
[M+NH4]+	271.216863	183.4
[M+K]+	292.146198	166.2
[M+H-H2O]+	236.180300	157.3
[M+HCOO]-	298.181241	185.3
[M+CH3COO]-	312.196891	198.0
[M+Na-2H]-	274.157706	166.2
[M]+	253.18249142	166.6
[M]-	253.18358858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe