CID 4250253

Amino(4-hydroxycyclohexyl)acetic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1CC(CCC1C(C(=O)O)N)O
InChI
InChI=1S/C8H15NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h5-7,10H,1-4,9H2,(H,11,12)
InChIKey
IMYYCZADDHYKLF-UHFFFAOYSA-N
Compound name
2-amino-2-(4-hydroxycyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

173.1052 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.6
[M+Na]+ 196.09442 142.2
[M-H]- 172.09792 138.2
[M+NH4]+ 191.13902 156.5
[M+K]+ 212.06836 140.9
[M+H-H2O]+ 156.10246 133.3
[M+HCOO]- 218.10340 155.3
[M+CH3COO]- 232.11905 176.9
[M+Na-2H]- 194.07987 139.3
[M]+ 173.10465 131.0
[M]- 173.10575 131.0
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