CID 62400531

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

Structural Information

Molecular Formula
C6H12N4O
SMILES
C1=C(N=NN1CCCN)CO
InChI
InChI=1S/C6H12N4O/c7-2-1-3-10-4-6(5-11)8-9-10/h4,11H,1-3,5,7H2
InChIKey
YCIXVERENBRDBR-UHFFFAOYSA-N
Compound name
[1-(3-aminopropyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.1011 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.10838 132.7
[M+Na]+ 179.09032 140.9
[M-H]- 155.09382 130.7
[M+NH4]+ 174.13492 150.4
[M+K]+ 195.06426 138.9
[M+H-H2O]+ 139.09836 124.8
[M+HCOO]- 201.09930 154.2
[M+CH3COO]- 215.11495 175.4
[M+Na-2H]- 177.07577 138.2
[M]+ 156.10055 131.9
[M]- 156.10165 131.9
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.