CID 5204231

2-aminomethyl-15-crown-5

Structural Information

Molecular Formula
C11H23NO5
SMILES
C1COCCOCC(OCCOCCO1)CN
InChI
InChI=1S/C11H23NO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10,12H2
InChIKey
AGNCFNQAIMILOU-UHFFFAOYSA-N
Compound name
1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

249.15762 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16490 160.1
[M+Na]+ 272.14684 161.2
[M-H]- 248.15034 163.3
[M+NH4]+ 267.19144 166.2
[M+K]+ 288.12078 167.1
[M+H-H2O]+ 232.15488 157.4
[M+HCOO]- 294.15582 172.1
[M+CH3COO]- 308.17147 184.6
[M+Na-2H]- 270.13229 165.5
[M]+ 249.15707 153.2
[M]- 249.15817 153.2
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