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

7
Patents

170.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 132.5
[M+Na]+ 193.05836 139.5
[M-H]- 169.06186 136.1
[M+NH4]+ 188.10296 151.9
[M+K]+ 209.03230 140.1
[M+H-H2O]+ 153.06640 125.6
[M+HCOO]- 215.06734 156.2
[M+CH3COO]- 229.08299 181.8
[M+Na-2H]- 191.04381 138.9
[M]+ 170.06859 133.1
[M]- 170.06969 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