CID 115993

Brn 0223646

Structural Information

Molecular Formula
C10H19N5O2
SMILES
CCCCOC1=NC(=NC(=N1)NC(C)(C)O)N
InChI
InChI=1S/C10H19N5O2/c1-4-5-6-17-9-13-7(11)12-8(14-9)15-10(2,3)16/h16H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKey
VCCAIFCMUAYXMN-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-butoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.15387 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.16115 158.1
[M+Na]+ 264.14309 165.1
[M-H]- 240.14659 156.2
[M+NH4]+ 259.18769 170.5
[M+K]+ 280.11703 162.5
[M+H-H2O]+ 224.15113 149.8
[M+HCOO]- 286.15207 177.1
[M+CH3COO]- 300.16772 196.3
[M+Na-2H]- 262.12854 164.4
[M]+ 241.15332 158.5
[M]- 241.15442 158.5
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.