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]+ 159.09168 134.9
[M+Na]+ 181.07362 146.1
[M-H]- 157.07712 136.4
[M+NH4]+ 176.11822 154.8
[M+K]+ 197.04756 140.3
[M+H-H2O]+ 141.08166 122.6
[M+HCOO]- 203.08260 152.2
[M+CH3COO]- 217.09825 146.9
[M+Na-2H]- 179.05907 140.0
[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

patents stripe