CID 207473

Triazine, 2-amino-4-butyl-6-pyrrolidino-

Structural Information

Molecular Formula
C11H19N5
SMILES
CCCCC1=NC(=NC(=N1)N2CCCC2)N
InChI
InChI=1S/C11H19N5/c1-2-3-6-9-13-10(12)15-11(14-9)16-7-4-5-8-16/h2-8H2,1H3,(H2,12,13,14,15)
InChIKey
BHLMUISHWPLKAS-UHFFFAOYSA-N
Compound name
4-butyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.16405 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.17133 152.9
[M+Na]+ 244.15327 159.8
[M-H]- 220.15677 153.5
[M+NH4]+ 239.19787 167.1
[M+K]+ 260.12721 156.2
[M+H-H2O]+ 204.16131 142.8
[M+HCOO]- 266.16225 171.3
[M+CH3COO]- 280.17790 191.2
[M+Na-2H]- 242.13872 155.8
[M]+ 221.16350 150.0
[M]- 221.16460 150.0
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.