CID 54280501

N-hydroxyhistamine

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=C(NC=N1)CCNO
InChI
InChI=1S/C5H9N3O/c9-8-2-1-5-3-6-4-7-5/h3-4,8-9H,1-2H2,(H,6,7)
InChIKey
RQLLCBPTFACWDH-UHFFFAOYSA-N
Compound name
N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

127.07456 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.0
[M+Na]+ 150.06378 131.2
[M-H]- 126.06728 122.2
[M+NH4]+ 145.10838 143.4
[M+K]+ 166.03772 129.0
[M+H-H2O]+ 110.07182 117.1
[M+HCOO]- 172.07276 146.2
[M+CH3COO]- 186.08841 166.4
[M+Na-2H]- 148.04923 131.3
[M]+ 127.07401 121.0
[M]- 127.07511 121.0
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