CID 66968254

1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine

Structural Information

Molecular Formula
C7H8BrN3
SMILES
C1CC1(C2=NC=C(C=N2)Br)N
InChI
InChI=1S/C7H8BrN3/c8-5-3-10-6(11-4-5)7(9)1-2-7/h3-4H,1-2,9H2
InChIKey
WQPXUGGREHDFQY-UHFFFAOYSA-N
Compound name
1-(5-bromopyrimidin-2-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

212.99016 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.99744 139.3
[M+Na]+ 235.97938 153.3
[M-H]- 211.98288 146.8
[M+NH4]+ 231.02398 156.0
[M+K]+ 251.95332 141.9
[M+H-H2O]+ 195.98742 138.5
[M+HCOO]- 257.98836 160.4
[M+CH3COO]- 272.00401 154.1
[M+Na-2H]- 233.96483 149.2
[M]+ 212.98961 157.7
[M]- 212.99071 157.7
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