CID 63321238

2-(5-bromopyrimidin-2-yl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CC(C)(C1=NC=C(C=N1)Br)N
InChI
InChI=1S/C7H10BrN3/c1-7(2,9)6-10-3-5(8)4-11-6/h3-4H,9H2,1-2H3
InChIKey
UIRDIGDIBQIMQP-UHFFFAOYSA-N
Compound name
2-(5-bromopyrimidin-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

215.00581 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.013086 137.9
[M+Na]+ 237.995028 149.8
[M-H]- 213.998534 141.6
[M+NH4]+ 233.039633 157.4
[M+K]+ 253.968968 138.7
[M+H-H2O]+ 198.003070 137.1
[M+HCOO]- 260.004011 157.0
[M+CH3COO]- 274.019661 186.5
[M+Na-2H]- 235.980476 147.4
[M]+ 215.00526142 155.0
[M]- 215.00635858 155.0
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