CID 69148227

420794-08-7

Structural Information

Molecular Formula
C12H23NO3
SMILES
C[C@@H]1C[C@@H](CC[C@H]1O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO3/c1-8-7-9(5-6-10(8)14)13-11(15)16-12(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t8-,9-,10-/m1/s1
InChIKey
SZVLDQVHEROQDA-OPRDCNLKSA-N
Compound name
tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

229.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 154.8
[M+Na]+ 252.15702 159.0
[M-H]- 228.16052 156.4
[M+NH4]+ 247.20162 172.3
[M+K]+ 268.13096 158.1
[M+H-H2O]+ 212.16506 149.6
[M+HCOO]- 274.16600 171.8
[M+CH3COO]- 288.18165 190.7
[M+Na-2H]- 250.14247 156.6
[M]+ 229.16725 151.9
[M]- 229.16835 151.9
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