CID 137832709

2241142-41-4

Structural Information

Molecular Formula
C14H23N3O
SMILES
CC(C)(C)N1C=C(C=N1)C2C3(CCOCC3)CN2
InChI
InChI=1S/C14H23N3O/c1-13(2,3)17-9-11(8-16-17)12-14(10-15-12)4-6-18-7-5-14/h8-9,12,15H,4-7,10H2,1-3H3
InChIKey
NNILQYCUMMNHDH-UHFFFAOYSA-N
Compound name
3-(1-tert-butylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.18411 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.19139 157.3
[M+Na]+ 272.17333 161.8
[M-H]- 248.17683 160.6
[M+NH4]+ 267.21793 166.2
[M+K]+ 288.14727 162.5
[M+H-H2O]+ 232.18137 144.8
[M+HCOO]- 294.18231 168.9
[M+CH3COO]- 308.19796 192.7
[M+Na-2H]- 270.15878 161.1
[M]+ 249.18356 161.3
[M]- 249.18466 161.3
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.