CID 3367195

6-methyl-2,3,4,4a,9,9a-hexahydro-1h-carbazole

Structural Information

Molecular Formula
C13H17N
SMILES
CC1=CC2=C(C=C1)NC3C2CCCC3
InChI
InChI=1S/C13H17N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,10,12,14H,2-5H2,1H3
InChIKey
GVYJONDNSWCNHQ-UHFFFAOYSA-N
Compound name
6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 142.3
[M+Na]+ 210.125318 149.2
[M-H]- 186.128824 144.4
[M+NH4]+ 205.169923 164.0
[M+K]+ 226.099258 144.3
[M+H-H2O]+ 170.133360 136.0
[M+HCOO]- 232.134301 158.9
[M+CH3COO]- 246.149951 154.2
[M+Na-2H]- 208.110766 146.8
[M]+ 187.13555142 136.9
[M]- 187.13664858 136.9
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.