CID 3730979

9-(pyrrolidin-1-ylmethyl)-9h-carbazole

Structural Information

Molecular Formula
C17H18N2
SMILES
C1CCN(C1)CN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C17H18N2/c1-3-9-16-14(7-1)15-8-2-4-10-17(15)19(16)13-18-11-5-6-12-18/h1-4,7-10H,5-6,11-13H2
InChIKey
WKINPTMLCGBWCM-UHFFFAOYSA-N
Compound name
9-(pyrrolidin-1-ylmethyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

250.147 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 157.7
[M+Na]+ 273.13622 166.6
[M-H]- 249.13972 163.8
[M+NH4]+ 268.18082 177.7
[M+K]+ 289.11016 160.8
[M+H-H2O]+ 233.14426 149.3
[M+HCOO]- 295.14520 178.3
[M+CH3COO]- 309.16085 170.0
[M+Na-2H]- 271.12167 161.4
[M]+ 250.14645 157.4
[M]- 250.14755 157.4
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

patents stripe