CID 84650791

1391291-50-1

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1CC2=C(N1)C=C(C=C2)C#N
InChI
InChI=1S/C10H10N2/c1-7-4-9-3-2-8(6-11)5-10(9)12-7/h2-3,5,7,12H,4H2,1H3
InChIKey
XJXHWBHPBVIKGK-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1H-indole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 136.2
[M+Na]+ 181.07362 148.1
[M+NH4]+ 176.11822 141.9
[M+K]+ 197.04756 139.7
[M-H]- 157.07712 130.6
[M+Na-2H]- 179.05907 139.0
[M]+ 158.08385 135.4
[M]- 158.08495 135.4
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

No patent data available for this compound.