CID 41466

N-nitroso-3-hydroxypiperidine

Structural Information

Molecular Formula
C5H10N2O2
SMILES
C1CC(CN(C1)N=O)O
InChI
InChI=1S/C5H10N2O2/c8-5-2-1-3-7(4-5)6-9/h5,8H,1-4H2
InChIKey
QCVPQZJTIBYSOX-UHFFFAOYSA-N
Compound name
1-nitrosopiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

130.07423 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08151 124.2
[M+Na]+ 153.06345 130.4
[M-H]- 129.06695 126.1
[M+NH4]+ 148.10805 144.4
[M+K]+ 169.03739 130.5
[M+H-H2O]+ 113.07149 117.9
[M+HCOO]- 175.07243 146.1
[M+CH3COO]- 189.08808 172.0
[M+Na-2H]- 151.04890 131.2
[M]+ 130.07368 120.6
[M]- 130.07478 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