CID 82593547

N-[(1h-imidazol-5-yl)methyl]hydroxylamine

Structural Information

Molecular Formula
C4H7N3O
SMILES
C1=C(NC=N1)CNO
InChI
InChI=1S/C4H7N3O/c8-7-2-4-1-5-3-6-4/h1,3,7-8H,2H2,(H,5,6)
InChIKey
QGHBVIYEGZHISQ-UHFFFAOYSA-N
Compound name
N-(1H-imidazol-5-ylmethyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.058914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 119.5
[M+Na]+ 136.048132 127.2
[M-H]- 112.051638 117.9
[M+NH4]+ 131.092737 139.5
[M+K]+ 152.022072 125.2
[M+H-H2O]+ 96.056174 112.8
[M+HCOO]- 158.057115 142.1
[M+CH3COO]- 172.072765 163.3
[M+Na-2H]- 134.033580 127.4
[M]+ 113.05836542 116.2
[M]- 113.05946258 116.2
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