CID 111591

2,4,4-trimethyl-1,5-diazaspiro[5.5]undec-1-ene

Structural Information

Molecular Formula
C12H22N2
SMILES
CC1=NC2(CCCCC2)NC(C1)(C)C
InChI
InChI=1S/C12H22N2/c1-10-9-11(2,3)14-12(13-10)7-5-4-6-8-12/h14H,4-9H2,1-3H3
InChIKey
KKAPBKMHOSGADR-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1,5-diazaspiro[5.5]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

194.1783 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.185576 148.0
[M+Na]+ 217.167518 153.6
[M-H]- 193.171024 148.9
[M+NH4]+ 212.212123 168.3
[M+K]+ 233.141458 150.6
[M+H-H2O]+ 177.175560 140.8
[M+HCOO]- 239.176501 161.7
[M+CH3COO]- 253.192151 158.5
[M+Na-2H]- 215.152966 153.4
[M]+ 194.17775142 140.2
[M]- 194.17884858 140.2
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