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: 2
Patents: 303.1824 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	304.189676	175.0
[M+Na]+	326.171618	180.6
[M-H]-	302.175124	174.3
[M+NH4]+	321.216223	188.4
[M+K]+	342.145558	179.9
[M+H-H2O]+	286.179660	163.7
[M+HCOO]-	348.180601	201.1
[M+CH3COO]-	362.196251	214.1
[M+Na-2H]-	324.157066	174.1
[M]+	303.18185142	180.2
[M]-	303.18294858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe