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

12
Patents

229.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 154.4
[M+Na]+ 252.157018 157.8
[M-H]- 228.160524 157.1
[M+NH4]+ 247.201623 172.2
[M+K]+ 268.130958 158.3
[M+H-H2O]+ 212.165060 148.8
[M+HCOO]- 274.166001 172.0
[M+CH3COO]- 288.181651 192.9
[M+Na-2H]- 250.142466 156.2
[M]+ 229.16725142 152.4
[M]- 229.16834858 152.4
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