CID 3053039

As-triazine, 5-cyclopropyl-3-methoxy-

Structural Information

Molecular Formula
C7H9N3O
SMILES
COC1=NC(=CN=N1)C2CC2
InChI
InChI=1S/C7H9N3O/c1-11-7-9-6(4-8-10-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
BGCPJNDJZNEUQX-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 140.9
[M+Na]+ 174.063768 152.0
[M-H]- 150.067274 144.5
[M+NH4]+ 169.108373 153.3
[M+K]+ 190.037708 148.9
[M+H-H2O]+ 134.071810 132.0
[M+HCOO]- 196.072751 162.8
[M+CH3COO]- 210.088401 178.8
[M+Na-2H]- 172.049216 148.7
[M]+ 151.07400142 143.9
[M]- 151.07509858 143.9
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

patents stripe