CID 23275

3-indoleacetonitrile, 5-dimethylamino-

Structural Information

Molecular Formula
C12H13N3
SMILES
CN(C)C1=CC2=C(C=C1)NC=C2CC#N
InChI
InChI=1S/C12H13N3/c1-15(2)10-3-4-12-11(7-10)9(5-6-13)8-14-12/h3-4,7-8,14H,5H2,1-2H3
InChIKey
YWFOLYMXKIKTPA-UHFFFAOYSA-N
Compound name
2-[5-(dimethylamino)-1H-indol-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11095 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 147.5
[M+Na]+ 222.10017 158.6
[M-H]- 198.10367 150.2
[M+NH4]+ 217.14477 166.0
[M+K]+ 238.07411 153.5
[M+H-H2O]+ 182.10821 133.9
[M+HCOO]- 244.10915 167.8
[M+CH3COO]- 258.12480 200.7
[M+Na-2H]- 220.08562 152.6
[M]+ 199.11040 143.8
[M]- 199.11150 143.8
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.