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]+ 208.14444 142.0
[M+Na]+ 230.12638 147.4
[M-H]- 206.12988 145.4
[M+NH4]+ 225.17098 152.4
[M+K]+ 246.10032 148.3
[M+H-H2O]+ 190.13442 129.2
[M+HCOO]- 252.13536 156.2
[M+CH3COO]- 266.15101 152.8
[M+Na-2H]- 228.11183 146.6
[M]+ 207.13661 145.6
[M]- 207.13771 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.