CID 62693871

2551119-12-9

Structural Information

Molecular Formula
C9H16N4
SMILES
CN1C=NN=C1C2CCC(CC2)N
InChI
InChI=1S/C9H16N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h6-8H,2-5,10H2,1H3
InChIKey
OTQLNKFKXGCRAS-UHFFFAOYSA-N
Compound name
4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 141.4
[M+Na]+ 203.126718 148.1
[M-H]- 179.130224 143.3
[M+NH4]+ 198.171323 158.5
[M+K]+ 219.100658 145.4
[M+H-H2O]+ 163.134760 132.4
[M+HCOO]- 225.135701 160.3
[M+CH3COO]- 239.151351 153.0
[M+Na-2H]- 201.112166 144.3
[M]+ 180.13695142 135.8
[M]- 180.13804858 135.8
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

No patent data available for this compound.