CID 132354060

40344-80-7

Structural Information

Molecular Formula
C8H15NO
SMILES
C1C[C@@H]2C[C@H]1C[C@@]2(CN)O
InChI
InChI=1S/C8H15NO/c9-5-8(10)4-6-1-2-7(8)3-6/h6-7,10H,1-5,9H2/t6-,7+,8-/m0/s1
InChIKey
OEYJFLZBZSJRBT-RNJXMRFFSA-N
Compound name
(1R,2R,4S)-2-(aminomethyl)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

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.3
[M+Na]+ 164.10459 138.2
[M-H]- 140.10809 132.4
[M+NH4]+ 159.14919 158.8
[M+K]+ 180.07853 135.8
[M+H-H2O]+ 124.11263 127.8
[M+HCOO]- 186.11357 151.9
[M+CH3COO]- 200.12922 172.8
[M+Na-2H]- 162.09004 135.8
[M]+ 141.11482 127.2
[M]- 141.11592 127.2
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.