CID 94037094

Rac-(1r,2s,4r)-2-(aminomethyl)bicyclo[2.2.1]hept-5-en-2-ol

Structural Information

Molecular Formula
C8H13NO
SMILES
C1[C@H]2C[C@@]([C@@H]1C=C2)(CN)O
InChI
InChI=1S/C8H13NO/c9-5-8(10)4-6-1-2-7(8)3-6/h1-2,6-7,10H,3-5,9H2/t6-,7+,8-/m0/s1
InChIKey
UIESWKMVBMPMGN-RNJXMRFFSA-N
Compound name
(1S,2R,4S)-2-(aminomethyl)bicyclo[2.2.1]hept-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.3
[M+Na]+ 162.088938 137.3
[M-H]- 138.092444 130.9
[M+NH4]+ 157.133543 157.0
[M+K]+ 178.062878 134.7
[M+H-H2O]+ 122.096980 125.9
[M+HCOO]- 184.097921 151.5
[M+CH3COO]- 198.113571 172.4
[M+Na-2H]- 160.074386 134.8
[M]+ 139.09917142 126.7
[M]- 139.10026858 126.7
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.