CID 58962901

2839128-67-3

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NCC1CCC(CC1)NC
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-10-5-7-11(14-4)8-6-10/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKey
ACMLSPVXNOQXNU-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 160.1
[M+Na]+ 265.18865 162.6
[M-H]- 241.19215 162.5
[M+NH4]+ 260.23325 177.2
[M+K]+ 281.16259 161.7
[M+H-H2O]+ 225.19669 153.8
[M+HCOO]- 287.19763 179.1
[M+CH3COO]- 301.21328 198.0
[M+Na-2H]- 263.17410 162.7
[M]+ 242.19888 156.9
[M]- 242.19998 156.9
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