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]+ 231.206706 154.9
[M+Na]+ 253.188648 157.4
[M-H]- 229.192154 155.2
[M+NH4]+ 248.233253 161.4
[M+K]+ 269.162588 158.5
[M+H-H2O]+ 213.196690 150.7
[M+HCOO]- 275.197631 161.6
[M+CH3COO]- 289.213281 225.9
[M+Na-2H]- 251.174096 154.1
[M]+ 230.19888142 153.0
[M]- 230.19997858 153.0
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.