CID 3068086

Vufb-12265

Structural Information

Molecular Formula
C15H21N
SMILES
CC(CC1=C2CCCC2=CC3=C1CCC3)N
InChI
InChI=1S/C15H21N/c1-10(16)8-15-13-6-2-4-11(13)9-12-5-3-7-14(12)15/h9-10H,2-8,16H2,1H3
InChIKey
BKWCLSYXCMDBDK-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 152.8
[M+Na]+ 238.15662 158.9
[M-H]- 214.16012 157.4
[M+NH4]+ 233.20122 176.7
[M+K]+ 254.13056 154.7
[M+H-H2O]+ 198.16466 147.5
[M+HCOO]- 260.16560 173.1
[M+CH3COO]- 274.18125 165.0
[M+Na-2H]- 236.14207 153.5
[M]+ 215.16685 149.5
[M]- 215.16795 149.5
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