CID 21703959

4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

Structural Information

Molecular Formula
C9H18N2O
SMILES
CN1CCOC2(C1)CCNCC2
InChI
InChI=1S/C9H18N2O/c1-11-6-7-12-9(8-11)2-4-10-5-3-9/h10H,2-8H2,1H3
InChIKey
MZNCLIDEUSKTII-UHFFFAOYSA-N
Compound name
4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

170.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 140.4
[M+Na]+ 193.131118 144.2
[M-H]- 169.134624 141.1
[M+NH4]+ 188.175723 157.8
[M+K]+ 209.105058 143.3
[M+H-H2O]+ 153.139160 132.6
[M+HCOO]- 215.140101 152.8
[M+CH3COO]- 229.155751 150.7
[M+Na-2H]- 191.116566 146.7
[M]+ 170.14135142 131.3
[M]- 170.14244858 131.3
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