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]+ 140.10700 129.3
[M+Na]+ 162.08894 137.3
[M-H]- 138.09244 130.9
[M+NH4]+ 157.13354 157.0
[M+K]+ 178.06288 134.7
[M+H-H2O]+ 122.09698 125.9
[M+HCOO]- 184.09792 151.5
[M+CH3COO]- 198.11357 172.4
[M+Na-2H]- 160.07439 134.8
[M]+ 139.09917 126.7
[M]- 139.10027 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.