CID 167729139

Rac-(1r,2s,4r)-1-aminobicyclo[2.2.1]heptan-2-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@@]2(C[C@H]1C[C@H]2O)N
InChI
InChI=1S/C7H13NO/c8-7-2-1-5(4-7)3-6(7)9/h5-6,9H,1-4,8H2/t5-,6-,7+/m1/s1
InChIKey
ATKWPSUYYUWOKJ-QYNIQEEDSA-N
Compound name
(1S,2R,4S)-1-aminobicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.7
[M+Na]+ 150.08894 134.1
[M-H]- 126.09244 128.0
[M+NH4]+ 145.13354 154.8
[M+K]+ 166.06288 131.9
[M+H-H2O]+ 110.09698 123.4
[M+HCOO]- 172.09792 147.7
[M+CH3COO]- 186.11357 169.8
[M+Na-2H]- 148.07439 131.7
[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

No patent data available for this compound.