CID 6484104

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

Structural Information

Molecular Formula
C5H10N4
SMILES
CC(CN1C=NC=N1)N
InChI
InChI=1S/C5H10N4/c1-5(6)2-9-4-7-3-8-9/h3-5H,2,6H2,1H3
InChIKey
ZTZDXHFMAKRNMX-UHFFFAOYSA-N
Compound name
1-(1,2,4-triazol-1-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

126.090546 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 124.9
[M+Na]+ 149.07976 134.9
[M+NH4]+ 144.12437 132.0
[M+K]+ 165.05370 132.3
[M-H]- 125.08327 124.6
[M+Na-2H]- 147.06521 130.3
[M]+ 126.09000 125.8
[M]- 126.09109 125.8
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