CID 124126523

2-methyl-2,3-dihydro-1h-indole-4-carbonitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
CC1CC2=C(C=CC=C2N1)C#N
InChI
InChI=1S/C10H10N2/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h2-4,7,12H,5H2,1H3
InChIKey
DSVLJLNHSMODQT-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1H-indole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 134.9
[M+Na]+ 181.073618 146.1
[M-H]- 157.077124 136.4
[M+NH4]+ 176.118223 154.8
[M+K]+ 197.047558 140.3
[M+H-H2O]+ 141.081660 122.6
[M+HCOO]- 203.082601 152.2
[M+CH3COO]- 217.098251 146.9
[M+Na-2H]- 179.059066 140.0
[M]+ 158.08385142 127.8
[M]- 158.08494858 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

patents stripe