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]+ 231.20671 159.8
[M+Na]+ 253.18865 163.4
[M-H]- 229.19215 159.3
[M+NH4]+ 248.23325 177.5
[M+K]+ 269.16259 162.8
[M+H-H2O]+ 213.19669 153.8
[M+HCOO]- 275.19763 181.8
[M+CH3COO]- 289.21328 197.3
[M+Na-2H]- 251.17410 163.5
[M]+ 230.19888 162.4
[M]- 230.19998 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