CID 120534

1028-08-6

Structural Information

Molecular Formula
C11H25N6OP
SMILES
CCCCCC1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C11H25N6OP/c1-6-7-8-9-10-13-11(12)17(14-10)19(18,15(2)3)16(4)5/h6-9H2,1-5H3,(H2,12,13,14)
InChIKey
RTXNQHSBJUKLGY-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18274 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19002 170.7
[M+Na]+ 311.17196 176.2
[M-H]- 287.17546 171.9
[M+NH4]+ 306.21656 185.2
[M+K]+ 327.14590 176.7
[M+H-H2O]+ 271.18000 159.3
[M+HCOO]- 333.18094 198.6
[M+CH3COO]- 347.19659 217.5
[M+Na-2H]- 309.15741 170.2
[M]+ 288.18219 174.8
[M]- 288.18329 174.8
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.