CID 12424665

50781-87-8

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CN(C2=CC=CC=C21)CC#N
InChI
InChI=1S/C10H10N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5,7-8H2
InChIKey
BRGHGUOTLPIBKE-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroindol-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

158.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 133.6
[M+Na]+ 181.07362 144.3
[M-H]- 157.07712 135.8
[M+NH4]+ 176.11822 153.7
[M+K]+ 197.04756 139.2
[M+H-H2O]+ 141.08166 120.5
[M+HCOO]- 203.08260 152.2
[M+CH3COO]- 217.09825 145.8
[M+Na-2H]- 179.05907 139.7
[M]+ 158.08385 127.8
[M]- 158.08495 127.8
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

No patent data available for this compound.