CID 13597003

104317-86-4

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CC(C)NCC(CN1CCCOCCC1)O
InChI
InChI=1S/C12H26N2O2/c1-11(2)13-9-12(15)10-14-5-3-7-16-8-4-6-14/h11-13,15H,3-10H2,1-2H3
InChIKey
KPXKGPUBXCCMSA-UHFFFAOYSA-N
Compound name
1-(1,5-oxazocan-5-yl)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.19943 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.20671 148.9
[M+Na]+ 253.18865 151.3
[M+NH4]+ 248.23325 151.1
[M+K]+ 269.16259 151.3
[M-H]- 229.19215 149.5
[M+Na-2H]- 251.17410 151.0
[M]+ 230.19888 149.2
[M]- 230.19998 149.2
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.