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]+ 127.09782 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

No literature data available for this compound.

Patent stripe

patents stripe