CID 3086779

1,3-diazaspiro(4.4)non-2-ene, 1-methyl-2-(2-pyridyl)-

Structural Information

Molecular Formula
C13H17N3
SMILES
CN1C(=NCC12CCCC2)C3=CC=CC=N3
InChI
InChI=1S/C13H17N3/c1-16-12(11-6-2-5-9-14-11)15-10-13(16)7-3-4-8-13/h2,5-6,9H,3-4,7-8,10H2,1H3
InChIKey
ZTEXHRWTFKQYST-UHFFFAOYSA-N
Compound name
1-methyl-2-pyridin-2-yl-1,3-diazaspiro[4.4]non-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 149.6
[M+Na]+ 238.13146 157.4
[M-H]- 214.13496 154.5
[M+NH4]+ 233.17606 169.7
[M+K]+ 254.10540 153.9
[M+H-H2O]+ 198.13950 140.3
[M+HCOO]- 260.14044 169.2
[M+CH3COO]- 274.15609 161.7
[M+Na-2H]- 236.11691 152.4
[M]+ 215.14169 146.1
[M]- 215.14279 146.1
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

No patent data available for this compound.