CID 70130

1,3-dimethylindole

Structural Information

Molecular Formula
C10H11N
SMILES
CC1=CN(C2=CC=CC=C12)C
InChI
InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
InChIKey
NAPPMSNSLWACIV-UHFFFAOYSA-N
Compound name
1,3-dimethylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

234
References

2632
Patents

145.08914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.096416 127.0
[M+Na]+ 168.078358 138.5
[M-H]- 144.081864 131.4
[M+NH4]+ 163.122963 150.9
[M+K]+ 184.052298 135.5
[M+H-H2O]+ 128.086400 121.4
[M+HCOO]- 190.087341 152.2
[M+CH3COO]- 204.102991 142.7
[M+Na-2H]- 166.063806 135.1
[M]+ 145.08859142 129.7
[M]- 145.08968858 129.7
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