CID 56828881

1211590-58-7

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CNCCC1CN2C=NC=N2
InChI
InChI=1S/C8H14N4/c1-3-9-4-2-8(1)5-12-7-10-6-11-12/h6-9H,1-5H2
InChIKey
ZLGCTFLARAWVND-UHFFFAOYSA-N
Compound name
4-(1,2,4-triazol-1-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.12184 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 137.8
[M+Na]+ 189.11106 143.4
[M-H]- 165.11456 136.7
[M+NH4]+ 184.15566 153.3
[M+K]+ 205.08500 140.5
[M+H-H2O]+ 149.11910 128.0
[M+HCOO]- 211.12004 153.7
[M+CH3COO]- 225.13569 148.3
[M+Na-2H]- 187.09651 142.5
[M]+ 166.12129 131.4
[M]- 166.12239 131.4
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

patents stripe