CID 45790784

1111598-02-7

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NC(CN)C1CCCCC1
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKey
VNULYAAMWXJKNO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-1-cyclohexylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.19943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 160.8
[M+Na]+ 265.188648 162.1
[M-H]- 241.192154 162.3
[M+NH4]+ 260.233253 177.2
[M+K]+ 281.162588 161.4
[M+H-H2O]+ 225.196690 154.4
[M+HCOO]- 287.197631 178.2
[M+CH3COO]- 301.213281 197.0
[M+Na-2H]- 263.174096 161.8
[M]+ 242.19888142 155.5
[M]- 242.19997858 155.5
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