CID 109298

Einecs 269-723-9

Structural Information

Molecular Formula
C12H27N3O2
SMILES
CC(CNCCN1CCN(CC1)CC(C)O)O
InChI
InChI=1S/C12H27N3O2/c1-11(16)9-13-3-4-14-5-7-15(8-6-14)10-12(2)17/h11-13,16-17H,3-10H2,1-2H3
InChIKey
XANQSUUVEHXZHA-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.21033 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.21761 163.0
[M+Na]+ 268.19955 164.7
[M-H]- 244.20305 159.6
[M+NH4]+ 263.24415 175.8
[M+K]+ 284.17349 162.7
[M+H-H2O]+ 228.20759 155.1
[M+HCOO]- 290.20853 176.1
[M+CH3COO]- 304.22418 193.7
[M+Na-2H]- 266.18500 162.9
[M]+ 245.20978 158.3
[M]- 245.21088 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

patents stripe