CID 12449102

2,3-dihydro-1h-isoindole-2-carbonitrile

Structural Information

Molecular Formula
C9H8N2
SMILES
C1C2=CC=CC=C2CN1C#N
InChI
InChI=1S/C9H8N2/c10-7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-6H2
InChIKey
JIKNSBXBRVGCNU-UHFFFAOYSA-N
Compound name
1,3-dihydroisoindole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

144.06874 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 129.5
[M+Na]+ 167.05796 140.7
[M-H]- 143.06146 132.0
[M+NH4]+ 162.10256 150.2
[M+K]+ 183.03190 135.7
[M+H-H2O]+ 127.06600 116.7
[M+HCOO]- 189.06694 148.5
[M+CH3COO]- 203.08259 142.2
[M+Na-2H]- 165.04341 136.1
[M]+ 144.06819 123.4
[M]- 144.06929 123.4
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