CID 7615

102-60-3

Structural Information

Molecular Formula
C14H32N2O4
SMILES
CC(CN(CCN(CC(C)O)CC(C)O)CC(C)O)O
InChI
InChI=1S/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3
InChIKey
NSOXQYCFHDMMGV-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

55409
Patents

292.2362 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.24348 177.8
[M+Na]+ 315.22542 177.6
[M-H]- 291.22892 174.0
[M+NH4]+ 310.27002 190.8
[M+K]+ 331.19936 178.9
[M+H-H2O]+ 275.23346 171.1
[M+HCOO]- 337.23440 192.9
[M+CH3COO]- 351.25005 209.7
[M+Na-2H]- 313.21087 172.4
[M]+ 292.23565 178.4
[M]- 292.23675 178.4
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