CID 104856

4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CN(CCCC(C1=CN=CC=C1)O)N=O
InChI
InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3
InChIKey
OGRXKBUCZFFSTL-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

289
References

1227
Patents

209.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 146.4
[M+Na]+ 232.10564 156.3
[M+NH4]+ 227.15024 153.3
[M+K]+ 248.07958 151.3
[M-H]- 208.10914 148.2
[M+Na-2H]- 230.09109 152.7
[M]+ 209.11587 148.0
[M]- 209.11697 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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