CID 28812115

2095410-39-0

Structural Information

Molecular Formula
C10H13N3
SMILES
CC1=C(C2=C(N1)N=CC=C2)CCN
InChI
InChI=1S/C10H13N3/c1-7-8(4-5-11)9-3-2-6-12-10(9)13-7/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKey
NGIGLSMTWXHYSW-UHFFFAOYSA-N
Compound name
2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 136.8
[M+Na]+ 198.10017 147.0
[M-H]- 174.10367 137.7
[M+NH4]+ 193.14477 156.7
[M+K]+ 214.07411 142.4
[M+H-H2O]+ 158.10821 130.0
[M+HCOO]- 220.10915 159.6
[M+CH3COO]- 234.12480 150.1
[M+Na-2H]- 196.08562 143.7
[M]+ 175.11040 136.4
[M]- 175.11150 136.4
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