CID 217654

39126-77-7

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCCC1(CCN(N(C1)C)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H24N2O/c1-4-8-15(9-10-16(2)17(3)12-15)13-6-5-7-14(18)11-13/h5-7,11,18H,4,8-10,12H2,1-3H3
InChIKey
UAMYDFPAZKHFBF-UHFFFAOYSA-N
Compound name
3-(1,2-dimethyl-4-propyldiazinan-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 161.0
[M+Na]+ 271.178078 167.5
[M-H]- 247.181584 163.2
[M+NH4]+ 266.222683 177.2
[M+K]+ 287.152018 163.7
[M+H-H2O]+ 231.186120 152.9
[M+HCOO]- 293.187061 176.8
[M+CH3COO]- 307.202711 193.8
[M+Na-2H]- 269.163526 164.0
[M]+ 248.18831142 158.3
[M]- 248.18940858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.