CID 46839615

1306763-29-0

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC2=C(C=CC=C2[C@@H]1N)C#N
InChI
InChI=1S/C10H10N2/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,10H,4-5,12H2/t10-/m1/s1
InChIKey
ICKYBHPNMIHUPQ-SNVBAGLBSA-N
Compound name
(1R)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

158.0844 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 136.6
[M+Na]+ 181.073618 147.6
[M-H]- 157.077124 140.3
[M+NH4]+ 176.118223 157.8
[M+K]+ 197.047558 142.1
[M+H-H2O]+ 141.081660 124.8
[M+HCOO]- 203.082601 156.8
[M+CH3COO]- 217.098251 149.1
[M+Na-2H]- 179.059066 141.4
[M]+ 158.08385142 129.3
[M]- 158.08494858 129.3
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