CID 43142225

59950-55-9

Structural Information

Molecular Formula
C8H13N3
SMILES
CC(C)(C)C1=NC=C(C=N1)N
InChI
InChI=1S/C8H13N3/c1-8(2,3)7-10-4-6(9)5-11-7/h4-5H,9H2,1-3H3
InChIKey
FTIPLKFFZLCAFN-UHFFFAOYSA-N
Compound name
2-tert-butylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

151.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 134.0
[M+Na]+ 174.10017 142.7
[M-H]- 150.10367 135.0
[M+NH4]+ 169.14477 152.6
[M+K]+ 190.07411 140.7
[M+H-H2O]+ 134.10821 127.4
[M+HCOO]- 196.10915 155.2
[M+CH3COO]- 210.12480 178.6
[M+Na-2H]- 172.08562 142.1
[M]+ 151.11040 132.7
[M]- 151.11150 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe