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

291
References

1752
Patents

209.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 146.1
[M+Na]+ 232.105638 151.4
[M-H]- 208.109144 149.4
[M+NH4]+ 227.150243 163.3
[M+K]+ 248.079578 151.3
[M+H-H2O]+ 192.113680 137.9
[M+HCOO]- 254.114621 171.3
[M+CH3COO]- 268.130271 194.3
[M+Na-2H]- 230.091086 152.5
[M]+ 209.11587142 148.1
[M]- 209.11696858 148.1
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