CID 130759731

2408937-20-0

Structural Information

Molecular Formula
C7H13NO
SMILES
C1[C@@H]2C[C@H]([C@H]1[C@H](C2)O)N
InChI
InChI=1S/C7H13NO/c8-6-2-4-1-5(6)7(9)3-4/h4-7,9H,1-3,8H2/t4-,5+,6-,7+/m1/s1
InChIKey
BBLGFSOKWOCPFL-UCROKIRRSA-N
Compound name
(1S,2S,4R,6R)-6-aminobicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.6
[M+Na]+ 150.088938 133.9
[M-H]- 126.092444 128.0
[M+NH4]+ 145.133543 152.9
[M+K]+ 166.062878 131.8
[M+H-H2O]+ 110.096980 123.0
[M+HCOO]- 172.097921 147.6
[M+CH3COO]- 186.113571 171.4
[M+Na-2H]- 148.074386 129.9
[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