CID 3292772

4a-methyl-2,3,4,4a-tetrahydro-1h-carbazole

Structural Information

Molecular Formula
C13H15N
SMILES
CC12CCCCC1=NC3=CC=CC=C23
InChI
InChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey
QUAWBDFZLBLKCC-UHFFFAOYSA-N
Compound name
4a-methyl-1,2,3,4-tetrahydrocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

185.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 141.2
[M+Na]+ 208.109668 149.8
[M-H]- 184.113174 145.1
[M+NH4]+ 203.154273 165.6
[M+K]+ 224.083608 145.6
[M+H-H2O]+ 168.117710 134.5
[M+HCOO]- 230.118651 160.9
[M+CH3COO]- 244.134301 154.4
[M+Na-2H]- 206.095116 148.7
[M]+ 185.11990142 139.0
[M]- 185.12099858 139.0
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