CID 67140611

(1r,2s)-2,6-dimethyl-2,3-dihydro-1h-inden-1-amine

Structural Information

Molecular Formula
C11H15N
SMILES
C[C@H]1CC2=C([C@@H]1N)C=C(C=C2)C
InChI
InChI=1S/C11H15N/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8,11H,6,12H2,1-2H3/t8-,11+/m0/s1
InChIKey
NMRCYNVWDPJOAC-GZMMTYOYSA-N
Compound name
(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

161.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 134.4
[M+Na]+ 184.10967 143.4
[M-H]- 160.11317 139.1
[M+NH4]+ 179.15427 158.4
[M+K]+ 200.08361 140.1
[M+H-H2O]+ 144.11771 129.5
[M+HCOO]- 206.11865 158.0
[M+CH3COO]- 220.13430 182.6
[M+Na-2H]- 182.09512 138.6
[M]+ 161.11990 132.6
[M]- 161.12100 132.6
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