CID 69504317

1500558-49-5

Structural Information

Molecular Formula
C10H19NO2
SMILES
C1CCC(CC1)(CCN)CC(=O)O
InChI
InChI=1S/C10H19NO2/c11-7-6-10(8-9(12)13)4-2-1-3-5-10/h1-8,11H2,(H,12,13)
InChIKey
OFESFQMJGZJFQT-UHFFFAOYSA-N
Compound name
2-[1-(2-aminoethyl)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.14159 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 144.3
[M+Na]+ 208.13081 147.7
[M-H]- 184.13431 144.9
[M+NH4]+ 203.17541 164.3
[M+K]+ 224.10475 146.1
[M+H-H2O]+ 168.13885 139.2
[M+HCOO]- 230.13979 162.6
[M+CH3COO]- 244.15544 180.6
[M+Na-2H]- 206.11626 147.5
[M]+ 185.14104 138.4
[M]- 185.14214 138.4
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