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

59
Patents

137.09529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 129.1
[M+Na]+ 160.084508 137.1
[M-H]- 136.088014 129.8
[M+NH4]+ 155.129113 147.8
[M+K]+ 176.058448 135.4
[M+H-H2O]+ 120.092550 122.4
[M+HCOO]- 182.093491 150.6
[M+CH3COO]- 196.109141 175.1
[M+Na-2H]- 158.069956 138.5
[M]+ 137.09474142 127.1
[M]- 137.09583858 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