CID 57177127

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

Structural Information

Molecular Formula
C5H10N4
SMILES
C1=NNN=C1CCCN
InChI
InChI=1S/C5H10N4/c6-3-1-2-5-4-7-9-8-5/h4H,1-3,6H2,(H,7,8,9)
InChIKey
IRAYOVGHEWBMFZ-UHFFFAOYSA-N
Compound name
3-(2H-triazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

126.090546 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 125.2
[M+Na]+ 149.07976 133.0
[M-H]- 125.08327 122.9
[M+NH4]+ 144.12437 143.8
[M+K]+ 165.05370 130.8
[M+H-H2O]+ 109.08781 117.3
[M+HCOO]- 171.08875 146.7
[M+CH3COO]- 185.10440 169.2
[M+Na-2H]- 147.06521 131.9
[M]+ 126.09000 122.2
[M]- 126.09109 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe