CID 200843

S-triazine, 2,4-diamino-6-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C7H12N6
SMILES
C1CCN(C1)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C7H12N6/c8-5-10-6(9)12-7(11-5)13-3-1-2-4-13/h1-4H2,(H4,8,9,10,11,12)
InChIKey
ILSOYWQFPDVKPE-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

180.11235 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.11963 138.5
[M+Na]+ 203.10157 146.3
[M-H]- 179.10507 139.3
[M+NH4]+ 198.14617 153.7
[M+K]+ 219.07551 143.2
[M+H-H2O]+ 163.10961 128.8
[M+HCOO]- 225.11055 158.7
[M+CH3COO]- 239.12620 150.0
[M+Na-2H]- 201.08702 143.1
[M]+ 180.11180 132.6
[M]- 180.11290 132.6
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

patents stripe