CID 84045101

Tert-butyl n-(3-(2-aminoethyl)cyclohexyl)carbamate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NC1CCCC(C1)CCN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11-6-4-5-10(9-11)7-8-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKey
YQWOQCYGHREMDW-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-aminoethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.19943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 160.5
[M+Na]+ 265.18865 163.0
[M-H]- 241.19215 162.4
[M+NH4]+ 260.23325 177.3
[M+K]+ 281.16259 161.8
[M+H-H2O]+ 225.19669 154.3
[M+HCOO]- 287.19763 178.9
[M+CH3COO]- 301.21328 197.4
[M+Na-2H]- 263.17410 162.1
[M]+ 242.19888 156.3
[M]- 242.19998 156.3
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