CID 3060481

Wp254

Structural Information

Molecular Formula
C10H23N6OP
SMILES
CCCCC1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C10H23N6OP/c1-6-7-8-9-12-10(11)16(13-9)18(17,14(2)3)15(4)5/h6-8H2,1-5H3,(H2,11,12,13)
InChIKey
DLRAVTCMBQZNGY-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-butyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16708 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17436 166.1
[M+Na]+ 297.15630 172.0
[M-H]- 273.15980 167.4
[M+NH4]+ 292.20090 181.1
[M+K]+ 313.13024 172.7
[M+H-H2O]+ 257.16434 154.8
[M+HCOO]- 319.16528 194.3
[M+CH3COO]- 333.18093 214.5
[M+Na-2H]- 295.14175 166.1
[M]+ 274.16653 169.8
[M]- 274.16763 169.8
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.