CID 3039953

51444-27-0

Structural Information

Molecular Formula
C6H12N4
SMILES
CN(C)CCN1C=NC=N1
InChI
InChI=1S/C6H12N4/c1-9(2)3-4-10-6-7-5-8-10/h5-6H,3-4H2,1-2H3
InChIKey
BLFOJPQSVBUXAO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

140.1062 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.113476 128.9
[M+Na]+ 163.095418 136.9
[M-H]- 139.098924 129.9
[M+NH4]+ 158.140023 148.7
[M+K]+ 179.069358 137.1
[M+H-H2O]+ 123.103460 120.4
[M+HCOO]- 185.104401 152.8
[M+CH3COO]- 199.120051 179.0
[M+Na-2H]- 161.080866 136.0
[M]+ 140.10565142 130.5
[M]- 140.10674858 130.5
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