CID 24777767

808756-83-4

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)N
InChI
InChI=1S/C13H19N/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h5-6,8,12H,4,7,14H2,1-3H3/t12-/m1/s1
InChIKey
JYRVCRJPCWMDQT-GFCCVEGCSA-N
Compound name
(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.7
[M+Na]+ 212.140968 152.3
[M-H]- 188.144474 148.9
[M+NH4]+ 207.185573 167.4
[M+K]+ 228.114908 149.0
[M+H-H2O]+ 172.149010 139.8
[M+HCOO]- 234.149951 166.0
[M+CH3COO]- 248.165601 187.2
[M+Na-2H]- 210.126416 149.2
[M]+ 189.15120142 142.6
[M]- 189.15229858 142.6
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