CID 136589186

[(1s,3r,5s)-6-azabicyclo[3.2.0]heptan-3-yl]methanol;hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1[C@H](C[C@H]2[C@@H]1CN2)CO
InChI
InChI=1S/C7H13NO/c9-4-5-1-6-3-8-7(6)2-5/h5-9H,1-4H2/t5-,6+,7+/m1/s1
InChIKey
OSCZNARSWBILKL-VQVTYTSYSA-N
Compound name
[(1S,3R,5S)-6-azabicyclo[3.2.0]heptan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 124.4
[M+Na]+ 150.08894 129.9
[M-H]- 126.09244 124.6
[M+NH4]+ 145.13354 140.3
[M+K]+ 166.06288 130.5
[M+H-H2O]+ 110.09698 114.8
[M+HCOO]- 172.09792 141.5
[M+CH3COO]- 186.11357 170.2
[M+Na-2H]- 148.07439 129.0
[M]+ 127.09917 128.6
[M]- 127.10027 128.6
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.