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]+ 211.155336 152.3
[M+Na]+ 233.137278 158.1
[M-H]- 209.140784 151.0
[M+NH4]+ 228.181883 164.5
[M+K]+ 249.111218 155.5
[M+H-H2O]+ 193.145320 143.6
[M+HCOO]- 255.146261 163.7
[M+CH3COO]- 269.161911 180.0
[M+Na-2H]- 231.122726 156.0
[M]+ 210.14751142 146.5
[M]- 210.14860858 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.