CID 167727263

Tert-butyl n-[(1s,3s,4s,5s)-3,4-dihydroxy-5-methoxycyclohexyl]carbamate

Structural Information

Molecular Formula
C12H23NO5
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H]([C@@H]([C@H](C1)OC)O)O
InChI
InChI=1S/C12H23NO5/c1-12(2,3)18-11(16)13-7-5-8(14)10(15)9(6-7)17-4/h7-10,14-15H,5-6H2,1-4H3,(H,13,16)/t7-,8-,9-,10-/m0/s1
InChIKey
VQAOVDJZXIAECS-XKNYDFJKSA-N
Compound name
tert-butyl N-[(1S,3S,4S,5S)-3,4-dihydroxy-5-methoxycyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15762 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16490 159.9
[M+Na]+ 284.14684 164.3
[M-H]- 260.15034 160.3
[M+NH4]+ 279.19144 175.5
[M+K]+ 300.12078 163.9
[M+H-H2O]+ 244.15488 154.7
[M+HCOO]- 306.15582 175.8
[M+CH3COO]- 320.17147 194.1
[M+Na-2H]- 282.13229 160.9
[M]+ 261.15707 158.5
[M]- 261.15817 158.5
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

No patent data available for this compound.