CID 66997095

1349980-81-9

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@H]([C@@H]2[C@H]1CNC2)O
InChI
InChI=1S/C7H13NO/c9-7-2-1-5-3-8-4-6(5)7/h5-9H,1-4H2/t5-,6+,7-/m1/s1
InChIKey
ZOBDURRZNGBULZ-DSYKOEDSSA-N
Compound name
(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

127.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 128.5
[M+Na]+ 150.088938 135.0
[M-H]- 126.092444 128.6
[M+NH4]+ 145.133543 152.4
[M+K]+ 166.062878 132.6
[M+H-H2O]+ 110.096980 123.6
[M+HCOO]- 172.097921 146.6
[M+CH3COO]- 186.113571 141.1
[M+Na-2H]- 148.074386 131.2
[M]+ 127.09917142 122.3
[M]- 127.10026858 122.3
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