CID 83678785

1315368-27-4

Structural Information

Molecular Formula
C8H14N4
SMILES
CC1=NN=C2N1CC(CC2)CN
InChI
InChI=1S/C8H14N4/c1-6-10-11-8-3-2-7(4-9)5-12(6)8/h7H,2-5,9H2,1H3
InChIKey
VCZQHTMMBHUSEO-UHFFFAOYSA-N
Compound name
(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 135.9
[M+Na]+ 189.11106 146.6
[M+NH4]+ 184.15566 144.0
[M+K]+ 205.08500 142.8
[M-H]- 165.11456 136.7
[M+Na-2H]- 187.09651 140.1
[M]+ 166.12129 137.3
[M]- 166.12239 137.3
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.