CID 137965613

3-methyl-1-(piperidin-4-yl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C8H15N5
SMILES
CC1=NN(C(=N1)N)C2CCNCC2
InChI
InChI=1S/C8H15N5/c1-6-11-8(9)13(12-6)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H2,9,11,12)
InChIKey
JVVGUXMCRPRFQD-UHFFFAOYSA-N
Compound name
5-methyl-2-piperidin-4-yl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.13275 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.14003 142.4
[M+Na]+ 204.12197 149.2
[M-H]- 180.12547 141.8
[M+NH4]+ 199.16657 157.5
[M+K]+ 220.09591 145.7
[M+H-H2O]+ 164.13001 133.1
[M+HCOO]- 226.13095 158.8
[M+CH3COO]- 240.14660 153.0
[M+Na-2H]- 202.10742 145.3
[M]+ 181.13220 135.3
[M]- 181.13330 135.3
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.