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]+ 217.144776 154.0
[M+Na]+ 239.126718 164.3
[M-H]- 215.130224 158.4
[M+NH4]+ 234.171323 166.4
[M+K]+ 255.100658 158.9
[M+H-H2O]+ 199.134760 145.1
[M+HCOO]- 261.135701 176.2
[M+CH3COO]- 275.151351 165.7
[M+Na-2H]- 237.112166 160.3
[M]+ 216.13695142 157.3
[M]- 216.13804858 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.