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

13
Patents

126.090546 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.097822 125.4
[M+Na]+ 149.079764 133.3
[M-H]- 125.083270 124.6
[M+NH4]+ 144.124369 144.7
[M+K]+ 165.053704 132.6
[M+H-H2O]+ 109.087806 117.4
[M+HCOO]- 171.088747 147.5
[M+CH3COO]- 185.104397 172.6
[M+Na-2H]- 147.065212 131.4
[M]+ 126.08999742 123.7
[M]- 126.09109458 123.7
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