CID 20352845

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

Structural Information

Molecular Formula
C5H10N4
SMILES
C1=NNC(=N1)CCCN
InChI
InChI=1S/C5H10N4/c6-3-1-2-5-7-4-8-9-5/h4H,1-3,6H2,(H,7,8,9)
InChIKey
XGQWLORBOSWDGW-UHFFFAOYSA-N
Compound name
3-(1H-1,2,4-triazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

126.090546 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.097822 125.2
[M+Na]+ 149.079764 133.0
[M-H]- 125.083270 122.9
[M+NH4]+ 144.124369 143.8
[M+K]+ 165.053704 130.8
[M+H-H2O]+ 109.087806 117.3
[M+HCOO]- 171.088747 146.7
[M+CH3COO]- 185.104397 169.2
[M+Na-2H]- 147.065212 131.9
[M]+ 126.08999742 122.2
[M]- 126.09109458 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

No literature data available for this compound.

Patent stripe

patents stripe