CID 10013520

(1s,2s)-trans-n-boc-2-aminocyclohexanol

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m0/s1
InChIKey
XVROWZPERFUOCE-IUCAKERBSA-N
Compound name
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

215.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 150.8
[M+Na]+ 238.141368 154.5
[M-H]- 214.144874 152.2
[M+NH4]+ 233.185973 168.5
[M+K]+ 254.115308 153.8
[M+H-H2O]+ 198.149410 145.4
[M+HCOO]- 260.150351 168.2
[M+CH3COO]- 274.166001 186.4
[M+Na-2H]- 236.126816 153.7
[M]+ 215.15160142 147.2
[M]- 215.15269858 147.2
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