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

16
Patents

212.99016 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.997436 139.3
[M+Na]+ 235.979378 153.3
[M-H]- 211.982884 146.8
[M+NH4]+ 231.023983 156.0
[M+K]+ 251.953318 141.9
[M+H-H2O]+ 195.987420 138.5
[M+HCOO]- 257.988361 160.4
[M+CH3COO]- 272.004011 154.1
[M+Na-2H]- 233.964826 149.2
[M]+ 212.98961142 157.7
[M]- 212.99070858 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