CID 28819646

5h,6h,7h,8h,9h,10h-cyclohepta[b]indol-2-amine

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCC2=C(CC1)NC3=C2C=C(C=C3)N
InChI
InChI=1S/C13H16N2/c14-9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h6-8,15H,1-5,14H2
InChIKey
BMBROKZHUIEBGU-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 142.6
[M+Na]+ 223.120568 149.7
[M-H]- 199.124074 146.6
[M+NH4]+ 218.165173 162.3
[M+K]+ 239.094508 147.8
[M+H-H2O]+ 183.128610 137.2
[M+HCOO]- 245.129551 162.1
[M+CH3COO]- 259.145201 154.5
[M+Na-2H]- 221.106016 148.4
[M]+ 200.13080142 136.0
[M]- 200.13189858 136.0
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.