CID 43685650

(cyclopropylmethyl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine

Structural Information

Molecular Formula
C12H16N4
SMILES
CC(C1=NN=C2N1C=CC=C2)NCC3CC3
InChI
InChI=1S/C12H16N4/c1-9(13-8-10-5-6-10)12-15-14-11-4-2-3-7-16(11)12/h2-4,7,9-10,13H,5-6,8H2,1H3
InChIKey
PMSAJNMGOOWWMY-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1375 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 154.0
[M+Na]+ 239.12672 164.3
[M-H]- 215.13022 158.4
[M+NH4]+ 234.17132 166.4
[M+K]+ 255.10066 158.9
[M+H-H2O]+ 199.13476 145.1
[M+HCOO]- 261.13570 176.2
[M+CH3COO]- 275.15135 165.7
[M+Na-2H]- 237.11217 160.3
[M]+ 216.13695 157.3
[M]- 216.13805 157.3
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

No patent data available for this compound.