CID 32856

2,4-diamino-6-butoxy-s-triazine

Structural Information

Molecular Formula

C₇H₁₃N₅O

SMILES

CCCCOC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C7H13N5O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H4,8,9,10,11,12)

InChIKey

ATQMBWVDBCGSQC-UHFFFAOYSA-N

Compound name

6-butoxy-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 447
Patents: 183.11201 Da
Monoisotopic Mass: 0.8
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]+	184.11929	138.7
[M+Na]+	206.10123	149.4
[M+NH4]+	201.14583	144.7
[M+K]+	222.07517	144.8
[M-H]-	182.10473	139.2
[M+Na-2H]-	204.08668	144.0
[M]+	183.11146	139.9
[M]-	183.11256	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe