CID 62907564

1344229-83-9

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1COCCC1C2=NC(=NN2)N
InChI
InChI=1S/C7H12N4O/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKey
FKOYPMDLOFWJSA-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.1011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 135.8
[M+Na]+ 191.090318 142.0
[M-H]- 167.093824 136.8
[M+NH4]+ 186.134923 151.0
[M+K]+ 207.064258 140.3
[M+H-H2O]+ 151.098360 127.1
[M+HCOO]- 213.099301 153.1
[M+CH3COO]- 227.114951 147.1
[M+Na-2H]- 189.075766 140.6
[M]+ 168.10055142 129.3
[M]- 168.10164858 129.3
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