CID 58110345

886780-73-0

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC2C1CCCC2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15/h10-11,14H,4-9H2,1-3H3
InChIKey
URXTVALAEXFDQW-UHFFFAOYSA-N
Compound name
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

240.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.191056 160.7
[M+Na]+ 263.172998 163.7
[M-H]- 239.176504 159.2
[M+NH4]+ 258.217603 175.7
[M+K]+ 279.146938 161.4
[M+H-H2O]+ 223.181040 153.5
[M+HCOO]- 285.181981 170.3
[M+CH3COO]- 299.197631 189.1
[M+Na-2H]- 261.158446 163.3
[M]+ 240.18323142 154.0
[M]- 240.18432858 154.0
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

patents stripe