CID 102794118

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

Structural Information

Molecular Formula
C7H13N5
SMILES
C1CN(CCC1N)C2=NC=NN2
InChI
InChI=1S/C7H13N5/c8-6-1-3-12(4-2-6)7-9-5-10-11-7/h5-6H,1-4,8H2,(H,9,10,11)
InChIKey
NZVGIQFDBODKKJ-UHFFFAOYSA-N
Compound name
1-(1H-1,2,4-triazol-5-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.1171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.124376 137.1
[M+Na]+ 190.106318 143.4
[M-H]- 166.109824 136.2
[M+NH4]+ 185.150923 152.4
[M+K]+ 206.080258 140.2
[M+H-H2O]+ 150.114360 127.6
[M+HCOO]- 212.115301 153.9
[M+CH3COO]- 226.130951 147.8
[M+Na-2H]- 188.091766 141.3
[M]+ 167.11655142 129.2
[M]- 167.11764858 129.2
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

patents stripe