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]+ 157.108376 132.7
[M+Na]+ 179.090318 140.9
[M-H]- 155.093824 130.7
[M+NH4]+ 174.134923 150.4
[M+K]+ 195.064258 138.9
[M+H-H2O]+ 139.098360 124.8
[M+HCOO]- 201.099301 154.2
[M+CH3COO]- 215.114951 175.4
[M+Na-2H]- 177.075766 138.2
[M]+ 156.10055142 131.9
[M]- 156.10164858 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.