CID 24700553

1807939-67-8

Structural Information

Molecular Formula
C11H16N4
SMILES
CC(C)CC(C1=NN=C2N1C=CC=C2)N
InChI
InChI=1S/C11H16N4/c1-8(2)7-9(12)11-14-13-10-5-3-4-6-15(10)11/h3-6,8-9H,7,12H2,1-2H3
InChIKey
STGGMMMPXMVMBT-UHFFFAOYSA-N
Compound name
3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14478 146.5
[M+Na]+ 227.12672 155.1
[M-H]- 203.13022 147.0
[M+NH4]+ 222.17132 164.1
[M+K]+ 243.10066 152.0
[M+H-H2O]+ 187.13476 138.2
[M+HCOO]- 249.13570 167.1
[M+CH3COO]- 263.15135 189.7
[M+Na-2H]- 225.11217 151.6
[M]+ 204.13695 147.2
[M]- 204.13805 147.2
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.