CID 72124933

2-(3-tert-butyl-1h-1,2,4-triazol-5-yl)morpholine

Structural Information

Molecular Formula
C10H18N4O
SMILES
CC(C)(C)C1=NNC(=N1)C2CNCCO2
InChI
InChI=1S/C10H18N4O/c1-10(2,3)9-12-8(13-14-9)7-6-11-4-5-15-7/h7,11H,4-6H2,1-3H3,(H,12,13,14)
InChIKey
IRRRCRKDFMWWNV-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15534 152.3
[M+Na]+ 233.13728 158.1
[M-H]- 209.14078 151.0
[M+NH4]+ 228.18188 164.5
[M+K]+ 249.11122 155.5
[M+H-H2O]+ 193.14532 143.6
[M+HCOO]- 255.14626 163.7
[M+CH3COO]- 269.16191 180.0
[M+Na-2H]- 231.12273 156.0
[M]+ 210.14751 146.5
[M]- 210.14861 146.5
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.