CID 84108504

2227205-94-7

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC(=O)N1CC2(C1)CCNCC2
InChI
InChI=1S/C9H16N2O/c1-8(12)11-6-9(7-11)2-4-10-5-3-9/h10H,2-7H2,1H3
InChIKey
IATHMVVWXYJRSS-UHFFFAOYSA-N
Compound name
1-(2,7-diazaspiro[3.5]nonan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

168.12627 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 138.7
[M+Na]+ 191.11549 142.7
[M-H]- 167.11899 139.4
[M+NH4]+ 186.16009 151.3
[M+K]+ 207.08943 143.8
[M+H-H2O]+ 151.12353 127.2
[M+HCOO]- 213.12447 152.6
[M+CH3COO]- 227.14012 178.2
[M+Na-2H]- 189.10094 143.3
[M]+ 168.12572 140.4
[M]- 168.12682 140.4
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

patents stripe