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 154.9
[M+Na]+ 253.18865 157.4
[M-H]- 229.19215 155.2
[M+NH4]+ 248.23325 161.4
[M+K]+ 269.16259 158.5
[M+H-H2O]+ 213.19669 150.7
[M+HCOO]- 275.19763 161.6
[M+CH3COO]- 289.21328 225.9
[M+Na-2H]- 251.17410 154.1
[M]+ 230.19888 153.0
[M]- 230.19998 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.