CID 13499360

2567496-88-0

Structural Information

Molecular Formula
C7H13N3
SMILES
C1=C(NC=N1)CCCCN
InChI
InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)
InChIKey
VJSUMPPMFYQOMP-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-5-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

142
Patents

139.11095 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 129.9
[M+Na]+ 162.100168 136.8
[M-H]- 138.103674 128.7
[M+NH4]+ 157.144773 149.3
[M+K]+ 178.074108 134.2
[M+H-H2O]+ 122.108210 122.6
[M+HCOO]- 184.109151 152.1
[M+CH3COO]- 198.124801 172.3
[M+Na-2H]- 160.085616 135.6
[M]+ 139.11040142 127.1
[M]- 139.11149858 127.1
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