CID 11252285

1,2,3,5,6,7-hexahydro-s-indacen-4-amine

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)N
InChI
InChI=1S/C12H15N/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7H,1-6,13H2
InChIKey
WVCORPDIFAZDQV-UHFFFAOYSA-N
Compound name
1,2,3,5,6,7-hexahydro-s-indacen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

385
Patents

173.12045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 136.9
[M+Na]+ 196.10967 147.5
[M+NH4]+ 191.15427 148.0
[M+K]+ 212.08361 143.9
[M-H]- 172.11317 140.6
[M+Na-2H]- 194.09512 141.2
[M]+ 173.11990 139.3
[M]- 173.12100 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe