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

25
Patents

198.13683 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 144.5
[M+Na]+ 221.12605 151.4
[M-H]- 197.12955 147.6
[M+NH4]+ 216.17065 164.0
[M+K]+ 237.09999 150.9
[M+H-H2O]+ 181.13409 137.7
[M+HCOO]- 243.13503 160.8
[M+CH3COO]- 257.15068 182.4
[M+Na-2H]- 219.11150 148.1
[M]+ 198.13628 141.4
[M]- 198.13738 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