CID 18891

5-aminogramine

Structural Information

Molecular Formula
C11H15N3
SMILES
CN(C)CC1=CNC2=C1C=C(C=C2)N
InChI
InChI=1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3
InChIKey
LXCLCCAAPPKYBS-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

189.1266 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 140.6
[M+Na]+ 212.11582 152.3
[M+NH4]+ 207.16042 149.4
[M+K]+ 228.08976 147.9
[M-H]- 188.11932 143.7
[M+Na-2H]- 210.10127 147.0
[M]+ 189.12605 143.0
[M]- 189.12715 143.0
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