CID 62102

N-nitrosoguvacine

Structural Information

Molecular Formula
C6H8N2O3
SMILES
C1CN(CC(=C1)C(=O)O)N=O
InChI
InChI=1S/C6H8N2O3/c9-6(10)5-2-1-3-8(4-5)7-11/h2H,1,3-4H2,(H,9,10)
InChIKey
XAZBVEFQMFZFEZ-UHFFFAOYSA-N
Compound name
1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3
Patents

156.0535 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 128.5
[M+Na]+ 179.04272 135.3
[M-H]- 155.04622 130.7
[M+NH4]+ 174.08732 147.5
[M+K]+ 195.01666 135.3
[M+H-H2O]+ 139.05076 122.0
[M+HCOO]- 201.05170 150.9
[M+CH3COO]- 215.06735 176.8
[M+Na-2H]- 177.02817 134.8
[M]+ 156.05295 126.8
[M]- 156.05405 126.8
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