CID 148046

64068-29-7

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=C(NC=N1)C(CN)O
InChI
InChI=1S/C5H9N3O/c6-1-5(9)4-2-7-3-8-4/h2-3,5,9H,1,6H2,(H,7,8)
InChIKey
BGQUJROFLRFZDN-UHFFFAOYSA-N
Compound name
2-amino-1-(1H-imidazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

127.07456 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 125.2
[M+Na]+ 150.06378 132.2
[M-H]- 126.06728 123.1
[M+NH4]+ 145.10838 144.3
[M+K]+ 166.03772 130.1
[M+H-H2O]+ 110.07182 118.4
[M+HCOO]- 172.07276 145.8
[M+CH3COO]- 186.08841 166.6
[M+Na-2H]- 148.04923 130.2
[M]+ 127.07401 120.6
[M]- 127.07511 120.6
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