CID 14313946

N-((1s,6r,7r,7as)-hexahydro-1h-1,6-epoxypyrrolizin-7-yl)-n-methylformamide

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CN(C=O)[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
InChI
InChI=1S/C9H14N2O2/c1-10(5-12)8-7-4-11-3-2-6(13-7)9(8)11/h5-9H,2-4H2,1H3/t6-,7+,8-,9+/m0/s1
InChIKey
YHLKXYXFUCTURZ-UYXSQOIJSA-N
Compound name
N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

182.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 139.5
[M+Na]+ 205.094748 146.6
[M-H]- 181.098254 143.3
[M+NH4]+ 200.139353 165.1
[M+K]+ 221.068688 147.3
[M+H-H2O]+ 165.102790 135.3
[M+HCOO]- 227.103731 159.7
[M+CH3COO]- 241.119381 153.1
[M+Na-2H]- 203.080196 142.5
[M]+ 182.10498142 141.8
[M]- 182.10607858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe