CID 86676344

1403864-94-7

Structural Information

Molecular Formula
C12H23NO3
SMILES
C[C@@H]1CC[C@H](C[C@H]1O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO3/c1-8-5-6-9(7-10(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
CBZNOKAFOMSSLW-OPRDCNLKSA-N
Compound name
tert-butyl N-[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

229.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 154.8
[M+Na]+ 252.157018 159.0
[M-H]- 228.160524 156.4
[M+NH4]+ 247.201623 172.3
[M+K]+ 268.130958 158.1
[M+H-H2O]+ 212.165060 149.6
[M+HCOO]- 274.166001 171.8
[M+CH3COO]- 288.181651 190.7
[M+Na-2H]- 250.142466 156.6
[M]+ 229.16725142 151.9
[M]- 229.16834858 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