CID 68271608

2245360-59-0

Structural Information

Molecular Formula
C7H14N2O
SMILES
CN1C[C@H]2[C@@H](C1)OCCN2
InChI
InChI=1S/C7H14N2O/c1-9-4-6-7(5-9)10-3-2-8-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
HBQXTZXLQBSTCJ-NKWVEPMBSA-N
Compound name
(4aS,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

142.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 130.8
[M+Na]+ 165.099828 136.9
[M-H]- 141.103334 130.9
[M+NH4]+ 160.144433 150.4
[M+K]+ 181.073768 136.1
[M+H-H2O]+ 125.107870 124.3
[M+HCOO]- 187.108811 146.0
[M+CH3COO]- 201.124461 142.8
[M+Na-2H]- 163.085276 135.9
[M]+ 142.11006142 125.3
[M]- 142.11115858 125.3
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

patents stripe