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

25
Patents

168.12627 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 138.7
[M+Na]+ 191.115488 142.7
[M-H]- 167.118994 139.4
[M+NH4]+ 186.160093 151.3
[M+K]+ 207.089428 143.8
[M+H-H2O]+ 151.123530 127.2
[M+HCOO]- 213.124471 152.6
[M+CH3COO]- 227.140121 178.2
[M+Na-2H]- 189.100936 143.3
[M]+ 168.12572142 140.4
[M]- 168.12681858 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