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]+ 250.191386 157.3
[M+Na]+ 272.173328 161.8
[M-H]- 248.176834 160.6
[M+NH4]+ 267.217933 166.2
[M+K]+ 288.147268 162.5
[M+H-H2O]+ 232.181370 144.8
[M+HCOO]- 294.182311 168.9
[M+CH3COO]- 308.197961 192.7
[M+Na-2H]- 270.158776 161.1
[M]+ 249.18356142 161.3
[M]- 249.18465858 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.