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

232
Patents

215.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 150.8
[M+Na]+ 238.14137 154.5
[M-H]- 214.14487 152.2
[M+NH4]+ 233.18597 168.5
[M+K]+ 254.11531 153.8
[M+H-H2O]+ 198.14941 145.4
[M+HCOO]- 260.15035 168.2
[M+CH3COO]- 274.16600 186.4
[M+Na-2H]- 236.12682 153.7
[M]+ 215.15160 147.2
[M]- 215.15270 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