CID 3060476

78149-96-9

Structural Information

Molecular Formula
C12H26N5O2P
SMILES
CCCCCC1=NN(C(=N1)N)P(=O)(N(C)C)OCCC
InChI
InChI=1S/C12H26N5O2P/c1-5-7-8-9-11-14-12(13)17(15-11)20(18,16(3)4)19-10-6-2/h5-10H2,1-4H3,(H2,13,14,15)
InChIKey
OVLCWWVFCPOHIL-UHFFFAOYSA-N
Compound name
2-[dimethylamino(propoxy)phosphoryl]-5-pentyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1824 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18968 175.0
[M+Na]+ 326.17162 180.6
[M-H]- 302.17512 174.3
[M+NH4]+ 321.21622 188.4
[M+K]+ 342.14556 179.9
[M+H-H2O]+ 286.17966 163.7
[M+HCOO]- 348.18060 201.1
[M+CH3COO]- 362.19625 214.1
[M+Na-2H]- 324.15707 174.1
[M]+ 303.18185 180.2
[M]- 303.18295 180.2
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.