CID 14000848

Rac-(1r,2s,3s,4s)-3-(methylamino)bicyclo[2.2.1]heptan-2-ol

Structural Information

Molecular Formula
C8H15NO
SMILES
CN[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1O
InChI
InChI=1S/C8H15NO/c1-9-7-5-2-3-6(4-5)8(7)10/h5-10H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1
InChIKey
OJHBGJVWNJQZML-ULAWRXDQSA-N
Compound name
(1S,2R,3R,4R)-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 130.9
[M+Na]+ 164.104588 137.7
[M-H]- 140.108094 132.5
[M+NH4]+ 159.149193 156.9
[M+K]+ 180.078528 135.7
[M+H-H2O]+ 124.112630 127.0
[M+HCOO]- 186.113571 152.1
[M+CH3COO]- 200.129221 175.0
[M+Na-2H]- 162.090036 134.6
[M]+ 141.11482142 127.9
[M]- 141.11591858 127.9
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.