CID 120588

4-(chloromethyl)-6-methoxy-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C5H7ClN4O
SMILES
COC1=NC(=NC(=N1)N)CCl
InChI
InChI=1S/C5H7ClN4O/c1-11-5-9-3(2-6)8-4(7)10-5/h2H2,1H3,(H2,7,8,9,10)
InChIKey
UTSJRGNBQUPGPU-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-methoxy-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

174.03084 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03812 132.4
[M+Na]+ 197.02006 143.2
[M-H]- 173.02356 131.9
[M+NH4]+ 192.06466 149.3
[M+K]+ 212.99400 140.0
[M+H-H2O]+ 157.02810 125.2
[M+HCOO]- 219.02904 150.2
[M+CH3COO]- 233.04469 179.8
[M+Na-2H]- 195.00551 140.1
[M]+ 174.03029 134.5
[M]- 174.03139 134.5
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

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