CID 88957

21587-74-6

Structural Information

Molecular Formula
C13H26N2O4
SMILES
C1C2(COC(O1)CCCN)COC(OC2)CCCN
InChI
InChI=1S/C13H26N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-10,14-15H2
InChIKey
ANOPCGQVRXJHHD-UHFFFAOYSA-N
Compound name
3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4944
Patents

274.18927 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 169.8
[M+Na]+ 297.178488 171.7
[M-H]- 273.181994 175.1
[M+NH4]+ 292.223093 181.2
[M+K]+ 313.152428 174.1
[M+H-H2O]+ 257.186530 162.4
[M+HCOO]- 319.187471 183.2
[M+CH3COO]- 333.203121 200.8
[M+Na-2H]- 295.163936 175.2
[M]+ 274.18872142 166.4
[M]- 274.18981858 166.4
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