CID 62414921

896161-29-8

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CC(C1)NC2=NC=C(C=C2)N
InChI
InChI=1S/C9H13N3/c10-7-4-5-9(11-6-7)12-8-2-1-3-8/h4-6,8H,1-3,10H2,(H,11,12)
InChIKey
SLRVQMVZTWQXCM-UHFFFAOYSA-N
Compound name
2-N-cyclobutylpyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.11095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 134.0
[M+Na]+ 186.100168 138.9
[M-H]- 162.103674 138.5
[M+NH4]+ 181.144773 145.9
[M+K]+ 202.074108 139.7
[M+H-H2O]+ 146.108210 120.7
[M+HCOO]- 208.109151 156.7
[M+CH3COO]- 222.124801 185.6
[M+Na-2H]- 184.085616 140.6
[M]+ 163.11040142 138.1
[M]- 163.11149858 138.1
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