CID 3602067

4a-methyl-3,4,4a,9-tetrahydro-2h-carbazole

Structural Information

Molecular Formula
C13H15N
SMILES
CC12CCCC=C1NC3=CC=CC=C23
InChI
InChI=1S/C13H15N/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13/h2-3,6-8,14H,4-5,9H2,1H3
InChIKey
VQMXLZOLTWQPKH-UHFFFAOYSA-N
Compound name
4a-methyl-2,3,4,9-tetrahydrocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 141.6
[M+Na]+ 208.10967 149.8
[M-H]- 184.11317 144.1
[M+NH4]+ 203.15427 165.3
[M+K]+ 224.08361 144.7
[M+H-H2O]+ 168.11771 135.3
[M+HCOO]- 230.11865 159.8
[M+CH3COO]- 244.13430 154.1
[M+Na-2H]- 206.09512 148.8
[M]+ 185.11990 137.6
[M]- 185.12100 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.