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]+ 128.10700 128.5
[M+Na]+ 150.08894 135.0
[M-H]- 126.09244 128.6
[M+NH4]+ 145.13354 152.4
[M+K]+ 166.06288 132.6
[M+H-H2O]+ 110.09698 123.6
[M+HCOO]- 172.09792 146.6
[M+CH3COO]- 186.11357 141.1
[M+Na-2H]- 148.07439 131.2
[M]+ 127.09917 122.3
[M]- 127.10027 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