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]+ 249.19614 161.0
[M+Na]+ 271.17808 167.5
[M-H]- 247.18158 163.2
[M+NH4]+ 266.22268 177.2
[M+K]+ 287.15202 163.7
[M+H-H2O]+ 231.18612 152.9
[M+HCOO]- 293.18706 176.8
[M+CH3COO]- 307.20271 193.8
[M+Na-2H]- 269.16353 164.0
[M]+ 248.18831 158.3
[M]- 248.18941 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.