CID 5383549

5654-92-2

Structural Information

Molecular Formula
C10H13N3
SMILES
CN(C)CC1=CNC2=C1C=CC=N2
InChI
InChI=1S/C10H13N3/c1-13(2)7-8-6-12-10-9(8)4-3-5-11-10/h3-6H,7H2,1-2H3,(H,11,12)
InChIKey
RFLCFQLBXWLHKX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

175.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 136.3
[M+Na]+ 198.10017 149.3
[M+NH4]+ 193.14477 145.2
[M+K]+ 214.07411 144.4
[M-H]- 174.10367 138.5
[M+Na-2H]- 196.08562 143.6
[M]+ 175.11040 138.7
[M]- 175.11150 138.7
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

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