CID 23130641

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

Structural Information

Molecular Formula
C5H10N4
SMILES
C1=NN(N=C1)CCCN
InChI
InChI=1S/C5H10N4/c6-2-1-5-9-7-3-4-8-9/h3-4H,1-2,5-6H2
InChIKey
SXJKZCLYUDXHSD-UHFFFAOYSA-N
Compound name
3-(triazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

126.090546 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 124.5
[M+Na]+ 149.07976 132.7
[M-H]- 125.08327 123.6
[M+NH4]+ 144.12437 143.9
[M+K]+ 165.05370 131.5
[M+H-H2O]+ 109.08781 116.4
[M+HCOO]- 171.08875 147.6
[M+CH3COO]- 185.10440 171.8
[M+Na-2H]- 147.06521 131.8
[M]+ 126.09000 123.5
[M]- 126.09109 123.5
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