CID 211188

P-bis(2-ethanolaminopropyl)benzene dihydrochloride

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1(CN1CCO)C2=CC=C(C=C2)C3(CN3CCO)C
InChI
InChI=1S/C16H24N2O2/c1-15(11-17(15)7-9-19)13-3-5-14(6-4-13)16(2)12-18(16)8-10-20/h3-6,19-20H,7-12H2,1-2H3
InChIKey
MQYPXIRSRIQPQO-UHFFFAOYSA-N
Compound name
2-[2-[4-[1-(2-hydroxyethyl)-2-methylaziridin-2-yl]phenyl]-2-methylaziridin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 178.5
[M+Na]+ 299.172998 186.3
[M-H]- 275.176504 183.5
[M+NH4]+ 294.217603 184.1
[M+K]+ 315.146938 184.0
[M+H-H2O]+ 259.181040 173.3
[M+HCOO]- 321.181981 192.9
[M+CH3COO]- 335.197631 206.4
[M+Na-2H]- 297.158446 180.1
[M]+ 276.18323142 183.9
[M]- 276.18432858 183.9
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.