CID 28064826

3-(3,5-dimethyl-1h-1,2,4-triazol-1-yl)-1-propanamine

Structural Information

Molecular Formula
C7H14N4
SMILES
CC1=NN(C(=N1)C)CCCN
InChI
InChI=1S/C7H14N4/c1-6-9-7(2)11(10-6)5-3-4-8/h3-5,8H2,1-2H3
InChIKey
UUJBKYUVARGEOD-UHFFFAOYSA-N
Compound name
3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 134.2
[M+Na]+ 177.111058 143.5
[M-H]- 153.114564 133.8
[M+NH4]+ 172.155663 153.1
[M+K]+ 193.084998 141.6
[M+H-H2O]+ 137.119100 126.4
[M+HCOO]- 199.120041 156.6
[M+CH3COO]- 213.135691 180.0
[M+Na-2H]- 175.096506 138.8
[M]+ 154.12129142 134.6
[M]- 154.12238858 134.6
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

No patent data available for this compound.