CID 23276

5-dimethylaminogramine

Structural Information

Molecular Formula
C13H19N3
SMILES
CN(C)CC1=CNC2=C1C=C(C=C2)N(C)C
InChI
InChI=1S/C13H19N3/c1-15(2)9-10-8-14-13-6-5-11(16(3)4)7-12(10)13/h5-8,14H,9H2,1-4H3
InChIKey
FRUJOVGZUUVHGQ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-N,N-dimethyl-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16518 150.1
[M+Na]+ 240.14712 158.2
[M-H]- 216.15062 155.3
[M+NH4]+ 235.19172 170.8
[M+K]+ 256.12106 156.1
[M+H-H2O]+ 200.15516 142.8
[M+HCOO]- 262.15610 175.7
[M+CH3COO]- 276.17175 199.5
[M+Na-2H]- 238.13257 155.3
[M]+ 217.15735 153.0
[M]- 217.15845 153.0
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