CID 80484375

2-(cyclopropylmethyl)pyrimidin-5-amine

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CC1CC2=NC=C(C=N2)N
InChI
InChI=1S/C8H11N3/c9-7-4-10-8(11-5-7)3-6-1-2-6/h4-6H,1-3,9H2
InChIKey
APPNEMHTNHIUNU-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

149.09529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 135.3
[M+Na]+ 172.084508 145.3
[M-H]- 148.088014 139.9
[M+NH4]+ 167.129113 148.7
[M+K]+ 188.058448 141.4
[M+H-H2O]+ 132.092550 127.2
[M+HCOO]- 194.093491 158.7
[M+CH3COO]- 208.109141 180.9
[M+Na-2H]- 170.069956 142.7
[M]+ 149.09474142 135.5
[M]- 149.09583858 135.5
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