CID 76179868

Tert-butyl n-[6-(methylamino)hexyl]carbamate

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CC(C)(C)OC(=O)NCCCCCCNC
InChI
InChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9-13-4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKey
ZNZSUZGLIJORGM-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-(methylamino)hexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

230.19943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.206706 159.8
[M+Na]+ 253.188648 163.4
[M-H]- 229.192154 159.3
[M+NH4]+ 248.233253 177.5
[M+K]+ 269.162588 162.8
[M+H-H2O]+ 213.196690 153.8
[M+HCOO]- 275.197631 181.8
[M+CH3COO]- 289.213281 197.3
[M+Na-2H]- 251.174096 163.5
[M]+ 230.19888142 162.4
[M]- 230.19997858 162.4
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