CID 63321236

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

137.09529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 129.1
[M+Na]+ 160.08451 137.1
[M-H]- 136.08801 129.8
[M+NH4]+ 155.12911 147.8
[M+K]+ 176.05845 135.4
[M+H-H2O]+ 120.09255 122.4
[M+HCOO]- 182.09349 150.6
[M+CH3COO]- 196.10914 175.1
[M+Na-2H]- 158.06996 138.5
[M]+ 137.09474 127.1
[M]- 137.09584 127.1
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