CID 96554

16256-41-0

Structural Information

Molecular Formula
C13H22N2O
SMILES
C1CCC2(CC1)C(=O)NC3(N2)CCCCC3
InChI
InChI=1S/C13H22N2O/c16-11-12(7-3-1-4-8-12)15-13(14-11)9-5-2-6-10-13/h15H,1-10H2,(H,14,16)
InChIKey
ZOVFJUATKMNOPY-UHFFFAOYSA-N
Compound name
7,14-diazadispiro[5.1.58.26]pentadecan-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

222.17322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 157.7
[M+Na]+ 245.16244 160.7
[M-H]- 221.16594 158.3
[M+NH4]+ 240.20704 177.3
[M+K]+ 261.13638 156.0
[M+H-H2O]+ 205.17048 149.6
[M+HCOO]- 267.17142 167.7
[M+CH3COO]- 281.18707 166.1
[M+Na-2H]- 243.14789 159.5
[M]+ 222.17267 143.4
[M]- 222.17377 143.4
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