CID 58421520

121788-52-1

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)(C)OC(=O)N(C)[C@@H]1CCCC[C@H]1O
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13(4)9-7-5-6-8-10(9)14/h9-10,14H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKey
SYCPWHUVXAZZPW-NXEZZACHSA-N
Compound name
tert-butyl N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

229.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 154.1
[M+Na]+ 252.15702 161.5
[M+NH4]+ 247.20162 160.7
[M+K]+ 268.13096 158.3
[M-H]- 228.16052 154.2
[M+Na-2H]- 250.14247 156.6
[M]+ 229.16725 154.8
[M]- 229.16835 154.8
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