CID 45080066

(2-ethylpyrimidin-4-yl)methanamine

Structural Information

Molecular Formula
C7H11N3
SMILES
CCC1=NC=CC(=N1)CN
InChI
InChI=1S/C7H11N3/c1-2-7-9-4-3-6(5-8)10-7/h3-4H,2,5,8H2,1H3
InChIKey
UEIRIBHCHQFDDF-UHFFFAOYSA-N
Compound name
(2-ethylpyrimidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

137.09529 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 128.3
[M+Na]+ 160.08451 136.8
[M-H]- 136.08801 129.0
[M+NH4]+ 155.12911 147.2
[M+K]+ 176.05845 134.7
[M+H-H2O]+ 120.09255 121.1
[M+HCOO]- 182.09349 151.4
[M+CH3COO]- 196.10914 175.9
[M+Na-2H]- 158.06996 136.3
[M]+ 137.09474 127.2
[M]- 137.09584 127.2
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