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]+ 201.13863 142.6
[M+Na]+ 223.12057 149.7
[M-H]- 199.12407 146.6
[M+NH4]+ 218.16517 162.3
[M+K]+ 239.09451 147.8
[M+H-H2O]+ 183.12861 137.2
[M+HCOO]- 245.12955 162.1
[M+CH3COO]- 259.14520 154.5
[M+Na-2H]- 221.10602 148.4
[M]+ 200.13080 136.0
[M]- 200.13190 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.