CID 14374007

1-amino-3-(1h-imidazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C6H11N3O
SMILES
C1=CN(C=N1)CC(CN)O
InChI
InChI=1S/C6H11N3O/c7-3-6(10)4-9-2-1-8-5-9/h1-2,5-6,10H,3-4,7H2
InChIKey
IPLIJMUJLJBZDZ-UHFFFAOYSA-N
Compound name
1-amino-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

141.09021 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.097486 129.1
[M+Na]+ 164.079428 136.1
[M-H]- 140.082934 128.2
[M+NH4]+ 159.124033 148.4
[M+K]+ 180.053368 134.7
[M+H-H2O]+ 124.087470 121.9
[M+HCOO]- 186.088411 150.9
[M+CH3COO]- 200.104061 172.1
[M+Na-2H]- 162.064876 134.1
[M]+ 141.08966142 126.8
[M]- 141.09075858 126.8
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

patents stripe