CID 16727954

(9-heptyl-2-methyl-carbazol-3-yl)methanol

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCCCCCN1C2=CC=CC=C2C3=C1C=C(C(=C3)CO)C
InChI
InChI=1S/C21H27NO/c1-3-4-5-6-9-12-22-20-11-8-7-10-18(20)19-14-17(15-23)16(2)13-21(19)22/h7-8,10-11,13-14,23H,3-6,9,12,15H2,1-2H3
InChIKey
LCHIMNPMOJCPTA-UHFFFAOYSA-N
Compound name
(9-heptyl-2-methylcarbazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 178.3
[M+Na]+ 332.198478 187.3
[M-H]- 308.201984 181.1
[M+NH4]+ 327.243083 195.9
[M+K]+ 348.172418 180.4
[M+H-H2O]+ 292.206520 170.7
[M+HCOO]- 354.207461 197.9
[M+CH3COO]- 368.223111 208.7
[M+Na-2H]- 330.183926 180.9
[M]+ 309.20871142 183.6
[M]- 309.20980858 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.