CID 82222724

[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]methanol dihydrochloride

Structural Information

Molecular Formula
C7H14N4O
SMILES
C1=C(N=NN1CCCCN)CO
InChI
InChI=1S/C7H14N4O/c8-3-1-2-4-11-5-7(6-12)9-10-11/h5,12H,1-4,6,8H2
InChIKey
JZFKCKLQJYVQFD-UHFFFAOYSA-N
Compound name
[1-(4-aminobutyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.11676 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12404 137.1
[M+Na]+ 193.10598 144.9
[M-H]- 169.10948 134.9
[M+NH4]+ 188.15058 154.2
[M+K]+ 209.07992 142.6
[M+H-H2O]+ 153.11402 129.0
[M+HCOO]- 215.11496 158.3
[M+CH3COO]- 229.13061 178.4
[M+Na-2H]- 191.09143 142.1
[M]+ 170.11621 136.7
[M]- 170.11731 136.7
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.