CID 16062566

930272-59-6

Structural Information

Molecular Formula
C6H9N3
SMILES
CC1=CN=C(N=C1)CN
InChI
InChI=1S/C6H9N3/c1-5-3-8-6(2-7)9-4-5/h3-4H,2,7H2,1H3
InChIKey
SGSZFTVNOSOSQE-UHFFFAOYSA-N
Compound name
(5-methylpyrimidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

123.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.7
[M+Na]+ 146.068868 132.7
[M-H]- 122.072374 124.6
[M+NH4]+ 141.113473 143.2
[M+K]+ 162.042808 130.8
[M+H-H2O]+ 106.076910 116.8
[M+HCOO]- 168.077851 147.1
[M+CH3COO]- 182.093501 172.8
[M+Na-2H]- 144.054316 132.3
[M]+ 123.07910142 122.3
[M]- 123.08019858 122.3
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