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]+ 182.140026 142.4
[M+Na]+ 204.121968 149.2
[M-H]- 180.125474 141.8
[M+NH4]+ 199.166573 157.5
[M+K]+ 220.095908 145.7
[M+H-H2O]+ 164.130010 133.1
[M+HCOO]- 226.130951 158.8
[M+CH3COO]- 240.146601 153.0
[M+Na-2H]- 202.107416 145.3
[M]+ 181.13220142 135.3
[M]- 181.13329858 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.