CID 6454453

Dodecahydro-9h-carbazole-9-carbaldehyde

Structural Information

Molecular Formula
C13H21NO
SMILES
C1CCC2C(C1)C3CCCCC3N2C=O
InChI
InChI=1S/C13H21NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h9-13H,1-8H2
InChIKey
OZGORQAYQOJQGC-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 149.4
[M+Na]+ 230.151528 153.7
[M-H]- 206.155034 151.6
[M+NH4]+ 225.196133 170.5
[M+K]+ 246.125468 150.2
[M+H-H2O]+ 190.159570 142.6
[M+HCOO]- 252.160511 163.3
[M+CH3COO]- 266.176161 160.0
[M+Na-2H]- 228.136976 151.2
[M]+ 207.16176142 142.1
[M]- 207.16285858 142.1
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

patents stripe