CID 130013828

Deethylatrazine-aldehyde

Structural Information

Molecular Formula
C6H8ClN5O
SMILES
CC(C=O)NC1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C6H8ClN5O/c1-3(2-13)9-6-11-4(7)10-5(8)12-6/h2-3H,1H3,(H3,8,9,10,11,12)
InChIKey
ZPXGPJRCFOOFGG-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]propanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

201.04173 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.049006 140.5
[M+Na]+ 224.030948 150.0
[M-H]- 200.034454 140.1
[M+NH4]+ 219.075553 155.8
[M+K]+ 240.004888 146.4
[M+H-H2O]+ 184.038990 132.9
[M+HCOO]- 246.039931 158.2
[M+CH3COO]- 260.055581 187.9
[M+Na-2H]- 222.016396 146.9
[M]+ 201.04118142 141.0
[M]- 201.04227858 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.