CID 139300919

Hsk16149

Structural Information

Molecular Formula
C12H19NO2
SMILES
C1C[C@@H]2[C@@H]3C[C@H]1C[C@@H]3[C@@]2(CC(=O)O)CN
InChI
InChI=1S/C12H19NO2/c13-6-12(5-11(14)15)9-2-1-7-3-8(9)10(12)4-7/h7-10H,1-6,13H2,(H,14,15)/t7-,8-,9+,10-,12-/m0/s1
InChIKey
WCEFMBSFXJUREW-LIJGXYGRSA-N
Compound name
2-[(1S,2S,3R,6S,8S)-2-(aminomethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
Patents

209.14159 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 152.6
[M+Na]+ 232.13081 156.5
[M-H]- 208.13431 153.3
[M+NH4]+ 227.17541 170.1
[M+K]+ 248.10475 156.4
[M+H-H2O]+ 192.13885 143.8
[M+HCOO]- 254.13979 166.8
[M+CH3COO]- 268.15544 192.4
[M+Na-2H]- 230.11626 155.4
[M]+ 209.14104 158.4
[M]- 209.14214 158.4
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