CID 17860904

1-(pyrimidin-2-yl)propan-1-amine

Structural Information

Molecular Formula
C7H11N3
SMILES
CCC(C1=NC=CC=N1)N
InChI
InChI=1S/C7H11N3/c1-2-6(8)7-9-4-3-5-10-7/h3-6H,2,8H2,1H3
InChIKey
JOHQIHUUHOFUKE-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

137.09529 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 128.7
[M+Na]+ 160.08451 135.9
[M-H]- 136.08801 129.1
[M+NH4]+ 155.12911 147.2
[M+K]+ 176.05845 134.3
[M+H-H2O]+ 120.09255 121.3
[M+HCOO]- 182.09349 150.7
[M+CH3COO]- 196.10914 175.6
[M+Na-2H]- 158.06996 136.2
[M]+ 137.09474 126.5
[M]- 137.09584 126.5
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

patents stripe