CID 44613

3-amino-9-n-butylcarbazole hydrochloride

Structural Information

Molecular Formula
C16H18N2
SMILES
CCCCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31
InChI
InChI=1S/C16H18N2/c1-2-3-10-18-15-7-5-4-6-13(15)14-11-12(17)8-9-16(14)18/h4-9,11H,2-3,10,17H2,1H3
InChIKey
KJCWVKRTYSMRBA-UHFFFAOYSA-N
Compound name
9-butylcarbazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

238.147 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 154.7
[M+Na]+ 261.13622 164.9
[M-H]- 237.13972 159.0
[M+NH4]+ 256.18082 175.2
[M+K]+ 277.11016 159.1
[M+H-H2O]+ 221.14426 147.6
[M+HCOO]- 283.14520 178.0
[M+CH3COO]- 297.16085 167.7
[M+Na-2H]- 259.12167 161.0
[M]+ 238.14645 156.9
[M]- 238.14755 156.9
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