CID 53297440

1-(methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CN(C(CCC(C1=CN=CC=C1)O)O)N=O
InChI
InChI=1S/C10H15N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,9-10,14-15H,4-5H2,1H3
InChIKey
ZDEMEBJTHIDHSF-UHFFFAOYSA-N
Compound name
N-(1,4-dihydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 149.5
[M+Na]+ 248.100558 153.9
[M-H]- 224.104064 151.4
[M+NH4]+ 243.145163 165.1
[M+K]+ 264.074498 154.1
[M+H-H2O]+ 208.108600 141.4
[M+HCOO]- 270.109541 172.3
[M+CH3COO]- 284.125191 194.8
[M+Na-2H]- 246.086006 154.2
[M]+ 225.11079142 150.4
[M]- 225.11188858 150.4
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

No patent data available for this compound.