CID 57509096

Ns00004369

Structural Information

Molecular Formula
C8H14N4O
SMILES
C1=C(NC=N1)CCC(CC(=O)N)N
InChI
InChI=1S/C8H14N4O/c9-6(3-8(10)13)1-2-7-4-11-5-12-7/h4-6H,1-3,9H2,(H2,10,13)(H,11,12)
InChIKey
CNQSLMMJABEBDE-UHFFFAOYSA-N
Compound name
3-amino-5-(1H-imidazol-5-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 141.0
[M+Na]+ 205.105978 146.2
[M-H]- 181.109484 139.5
[M+NH4]+ 200.150583 157.8
[M+K]+ 221.079918 143.9
[M+H-H2O]+ 165.114020 133.0
[M+HCOO]- 227.114961 161.7
[M+CH3COO]- 241.130611 182.7
[M+Na-2H]- 203.091426 143.2
[M]+ 182.11621142 136.2
[M]- 182.11730858 136.2
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.