CID 154878985

2127078-78-6

Structural Information

Molecular Formula
C11H17N3O
SMILES
CN1C=C(C=N1)C2C3(CCOCC3)CN2
InChI
InChI=1S/C11H17N3O/c1-14-7-9(6-13-14)10-11(8-12-10)2-4-15-5-3-11/h6-7,10,12H,2-5,8H2,1H3
InChIKey
NSGDIXDQFHIWLL-UHFFFAOYSA-N
Compound name
3-(1-methylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 142.0
[M+Na]+ 230.126378 147.4
[M-H]- 206.129884 145.4
[M+NH4]+ 225.170983 152.4
[M+K]+ 246.100318 148.3
[M+H-H2O]+ 190.134420 129.2
[M+HCOO]- 252.135361 156.2
[M+CH3COO]- 266.151011 152.8
[M+Na-2H]- 228.111826 146.6
[M]+ 207.13661142 145.6
[M]- 207.13770858 145.6
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.