CID 44240829

1175018-74-2

Structural Information

Molecular Formula
C12H14ClN
SMILES
C1CC2=CC=CC=C2[C@@H]1NC/C=C\Cl
InChI
InChI=1S/C12H14ClN/c13-8-3-9-14-12-7-6-10-4-1-2-5-11(10)12/h1-5,8,12,14H,6-7,9H2/b8-3-/t12-/m1/s1
InChIKey
MLLXGVLJGYOTNZ-CPWLGJMPSA-N
Compound name
(1R)-N-[(Z)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.08148 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08876 146.7
[M+Na]+ 230.07070 154.5
[M-H]- 206.07420 150.6
[M+NH4]+ 225.11530 169.1
[M+K]+ 246.04464 148.6
[M+H-H2O]+ 190.07874 141.5
[M+HCOO]- 252.07968 166.1
[M+CH3COO]- 266.09533 186.3
[M+Na-2H]- 228.05615 152.0
[M]+ 207.08093 146.6
[M]- 207.08203 146.6
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