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

11
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

literature stripe

Patent stripe

patents stripe