CID 177800989

2955711-83-6

Structural Information

Molecular Formula
C9H17N5
SMILES
C1CNCCC1CCN2C=NC(=N2)N
InChI
InChI=1S/C9H17N5/c10-9-12-7-14(13-9)6-3-8-1-4-11-5-2-8/h7-8,11H,1-6H2,(H2,10,13)
InChIKey
IYOURRIWUMVQGQ-UHFFFAOYSA-N
Compound name
1-(2-piperidin-4-ylethyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14839 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.155666 145.6
[M+Na]+ 218.137608 151.0
[M-H]- 194.141114 144.4
[M+NH4]+ 213.182213 159.7
[M+K]+ 234.111548 147.3
[M+H-H2O]+ 178.145650 135.7
[M+HCOO]- 240.146591 161.7
[M+CH3COO]- 254.162241 155.4
[M+Na-2H]- 216.123056 148.8
[M]+ 195.14784142 138.4
[M]- 195.14893858 138.4
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.