CID 62103

N-nitrosoguvacoline

Structural Information

Molecular Formula
C7H10N2O3
SMILES
COC(=O)C1=CCCN(C1)N=O
InChI
InChI=1S/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3
InChIKey
NXEUEKXJAAVKCT-UHFFFAOYSA-N
Compound name
methyl 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

14
Patents

170.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 132.5
[M+Na]+ 193.058358 139.5
[M-H]- 169.061864 136.1
[M+NH4]+ 188.102963 151.9
[M+K]+ 209.032298 140.1
[M+H-H2O]+ 153.066400 125.6
[M+HCOO]- 215.067341 156.2
[M+CH3COO]- 229.082991 181.8
[M+Na-2H]- 191.043806 138.9
[M]+ 170.06859142 133.1
[M]- 170.06968858 133.1
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