CID 3073583

2,8-dimethyl-1-oxa-3,8-diazaspiro(4,5)decane-3-carboxaldehyde ethanedioate (1:1)

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC1N(CC2(O1)CCN(CC2)C)C=O
InChI
InChI=1S/C10H18N2O2/c1-9-12(8-13)7-10(14-9)3-5-11(2)6-4-10/h8-9H,3-7H2,1-2H3
InChIKey
VFVSUGZERBIWSP-UHFFFAOYSA-N
Compound name
2,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

198.13683 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 144.5
[M+Na]+ 221.126048 151.4
[M-H]- 197.129554 147.6
[M+NH4]+ 216.170653 164.0
[M+K]+ 237.099988 150.9
[M+H-H2O]+ 181.134090 137.7
[M+HCOO]- 243.135031 160.8
[M+CH3COO]- 257.150681 182.4
[M+Na-2H]- 219.111496 148.1
[M]+ 198.13628142 141.4
[M]- 198.13737858 141.4
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