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

49
Patents

170.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 140.4
[M+Na]+ 193.13112 144.2
[M-H]- 169.13462 141.1
[M+NH4]+ 188.17572 157.8
[M+K]+ 209.10506 143.3
[M+H-H2O]+ 153.13916 132.6
[M+HCOO]- 215.14010 152.8
[M+CH3COO]- 229.15575 150.7
[M+Na-2H]- 191.11657 146.7
[M]+ 170.14135 131.3
[M]- 170.14245 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