CID 2734594

1-amino-4-hydroxycylclohexane-1-carboxylic acid, n-boc protected

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)NC1(CCC(CC1)O)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(17)13-12(9(15)16)6-4-8(14)5-7-12/h8,14H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKey
DRBVVUBYEBFRKS-UHFFFAOYSA-N
Compound name
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

259.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 158.6
[M+Na]+ 282.13119 162.1
[M-H]- 258.13469 158.6
[M+NH4]+ 277.17579 175.5
[M+K]+ 298.10513 161.9
[M+H-H2O]+ 242.13923 154.4
[M+HCOO]- 304.14017 173.7
[M+CH3COO]- 318.15582 191.1
[M+Na-2H]- 280.11664 161.2
[M]+ 259.14142 155.5
[M]- 259.14252 155.5
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