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

57
Patents

173.1052 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 138.6
[M+Na]+ 196.094418 142.2
[M-H]- 172.097924 138.2
[M+NH4]+ 191.139023 156.5
[M+K]+ 212.068358 140.9
[M+H-H2O]+ 156.102460 133.3
[M+HCOO]- 218.103401 155.3
[M+CH3COO]- 232.119051 176.9
[M+Na-2H]- 194.079866 139.3
[M]+ 173.10465142 131.0
[M]- 173.10574858 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