CID 66749557

Tert-butyl trans-n-[4-(dimethylamino)cyclohexyl]carbamate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)N(C)C
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)14-10-6-8-11(9-7-10)15(4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKey
BAKQGMLJAGYMQC-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

242.19943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 159.7
[M+Na]+ 265.18865 162.3
[M-H]- 241.19215 163.5
[M+NH4]+ 260.23325 177.4
[M+K]+ 281.16259 162.9
[M+H-H2O]+ 225.19669 153.3
[M+HCOO]- 287.19763 179.2
[M+CH3COO]- 301.21328 201.4
[M+Na-2H]- 263.17410 161.6
[M]+ 242.19888 157.7
[M]- 242.19998 157.7
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