CID 146155507

2416219-33-3

Structural Information

Molecular Formula
C9H18N2O
SMILES
C[C@]1(COC[C@H]2N1CCC2)CN
InChI
InChI=1S/C9H18N2O/c1-9(6-10)7-12-5-8-3-2-4-11(8)9/h8H,2-7,10H2,1H3/t8-,9+/m0/s1
InChIKey
WFRATFVNUQNYTC-DTWKUNHWSA-N
Compound name
[(4R,8aS)-4-methyl-1,3,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 137.9
[M+Na]+ 193.13112 143.7
[M-H]- 169.13462 140.3
[M+NH4]+ 188.17572 159.9
[M+K]+ 209.10506 143.0
[M+H-H2O]+ 153.13916 132.1
[M+HCOO]- 215.14010 155.7
[M+CH3COO]- 229.15575 179.6
[M+Na-2H]- 191.11657 143.3
[M]+ 170.14135 133.1
[M]- 170.14245 133.1
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.