CID 12147688

2-amino-2,3-dihydro-1h-indene-5-carbonitrile hydrochloride

Structural Information

Molecular Formula
C10H10N2
SMILES
C1C(CC2=C1C=CC(=C2)C#N)N
InChI
InChI=1S/C10H10N2/c11-6-7-1-2-8-4-10(12)5-9(8)3-7/h1-3,10H,4-5,12H2
InChIKey
ZHPOAQSSSNBZND-UHFFFAOYSA-N
Compound name
2-amino-2,3-dihydro-1H-indene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

158.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 136.6
[M+Na]+ 181.07362 147.6
[M-H]- 157.07712 140.3
[M+NH4]+ 176.11822 157.8
[M+K]+ 197.04756 142.1
[M+H-H2O]+ 141.08166 124.8
[M+HCOO]- 203.08260 156.8
[M+CH3COO]- 217.09825 149.1
[M+Na-2H]- 179.05907 141.4
[M]+ 158.08385 129.3
[M]- 158.08495 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