CID 116490094

Cyclobutyl(pyrimidin-2-yl)methanamine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CC(C1)C(C2=NC=CC=N2)N
InChI
InChI=1S/C9H13N3/c10-8(7-3-1-4-7)9-11-5-2-6-12-9/h2,5-8H,1,3-4,10H2
InChIKey
IERYKCCHWHEYMH-UHFFFAOYSA-N
Compound name
cyclobutyl(pyrimidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.11095 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 135.4
[M+Na]+ 186.10017 140.2
[M-H]- 162.10367 138.3
[M+NH4]+ 181.14477 146.0
[M+K]+ 202.07411 141.2
[M+H-H2O]+ 146.10821 121.7
[M+HCOO]- 208.10915 155.0
[M+CH3COO]- 222.12480 183.2
[M+Na-2H]- 184.08562 141.3
[M]+ 163.11040 139.8
[M]- 163.11150 139.8
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

No patent data available for this compound.