CID 84045108

Tert-butyl n-[(3-aminocyclohexyl)methyl]-n-methylcarbamate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC1CCCC(C1)N
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(4)9-10-6-5-7-11(14)8-10/h10-11H,5-9,14H2,1-4H3
InChIKey
AJLFJNFEZGEOCQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-aminocyclohexyl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 160.2
[M+Na]+ 265.188648 162.8
[M-H]- 241.192154 163.5
[M+NH4]+ 260.233253 177.6
[M+K]+ 281.162588 163.1
[M+H-H2O]+ 225.196690 153.9
[M+HCOO]- 287.197631 179.1
[M+CH3COO]- 301.213281 200.8
[M+Na-2H]- 263.174096 161.0
[M]+ 242.19888142 157.2
[M]- 242.19997858 157.2
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

No patent data available for this compound.