CID 17803

2827-45-4

Structural Information

Molecular Formula
C4H7N5O
SMILES
COC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C4H7N5O/c1-10-4-8-2(5)7-3(6)9-4/h1H3,(H4,5,6,7,8,9)
InChIKey
XVMFICQRQHBOOT-UHFFFAOYSA-N
Compound name
6-methoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1121
Patents

141.06506 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07234 127.2
[M+Na]+ 164.05428 137.1
[M-H]- 140.05778 126.9
[M+NH4]+ 159.09888 144.1
[M+K]+ 180.02822 135.4
[M+H-H2O]+ 124.06232 119.4
[M+HCOO]- 186.06326 150.5
[M+CH3COO]- 200.07891 177.4
[M+Na-2H]- 162.03973 135.3
[M]+ 141.06451 125.6
[M]- 141.06561 125.6
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

patents stripe