CID 3015052

2,3,4,9-tetrahydro-8-methyl-1h-carbazole

Structural Information

Molecular Formula
C13H15N
SMILES
CC1=C2C(=CC=C1)C3=C(N2)CCCC3
InChI
InChI=1S/C13H15N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h4-5,7,14H,2-3,6,8H2,1H3
InChIKey
YSOBXTJUYFKXDF-UHFFFAOYSA-N
Compound name
8-methyl-2,3,4,9-tetrahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

185.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 139.4
[M+Na]+ 208.109668 148.5
[M-H]- 184.113174 142.3
[M+NH4]+ 203.154273 161.5
[M+K]+ 224.083608 143.2
[M+H-H2O]+ 168.117710 133.3
[M+HCOO]- 230.118651 159.0
[M+CH3COO]- 244.134301 152.5
[M+Na-2H]- 206.095116 146.1
[M]+ 185.11990142 137.1
[M]- 185.12099858 137.1
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