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
1
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]+ 195.18558 148.0
[M+Na]+ 217.16752 153.6
[M-H]- 193.17102 148.9
[M+NH4]+ 212.21212 168.3
[M+K]+ 233.14146 150.6
[M+H-H2O]+ 177.17556 140.8
[M+HCOO]- 239.17650 161.7
[M+CH3COO]- 253.19215 158.5
[M+Na-2H]- 215.15297 153.4
[M]+ 194.17775 140.2
[M]- 194.17885 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