CID 64287828

[5-(propan-2-yloxy)pyrazin-2-yl]methanamine

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC(C)OC1=NC=C(N=C1)CN
InChI
InChI=1S/C8H13N3O/c1-6(2)12-8-5-10-7(3-9)4-11-8/h4-6H,3,9H2,1-2H3
InChIKey
KMBYPOQMHIVTQY-UHFFFAOYSA-N
Compound name
(5-propan-2-yloxypyrazin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 136.4
[M+Na]+ 190.095088 144.1
[M-H]- 166.098594 137.0
[M+NH4]+ 185.139693 153.9
[M+K]+ 206.069028 142.7
[M+H-H2O]+ 150.103130 128.9
[M+HCOO]- 212.104071 158.3
[M+CH3COO]- 226.119721 181.8
[M+Na-2H]- 188.080536 142.6
[M]+ 167.10532142 136.4
[M]- 167.10641858 136.4
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.