CID 146598485

Tert-butyl n-[7-(methylamino)heptyl]carbamate

Structural Information

Molecular Formula
C13H28N2O2
SMILES
CC(C)(C)OC(=O)NCCCCCCCNC
InChI
InChI=1S/C13H28N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-6-8-10-14-4/h14H,5-11H2,1-4H3,(H,15,16)
InChIKey
RLWYXQOFOGEDJV-UHFFFAOYSA-N
Compound name
tert-butyl N-[7-(methylamino)heptyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

244.21507 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.222346 164.3
[M+Na]+ 267.204288 167.5
[M-H]- 243.207794 163.6
[M+NH4]+ 262.248893 181.5
[M+K]+ 283.178228 166.7
[M+H-H2O]+ 227.212330 158.1
[M+HCOO]- 289.213271 186.0
[M+CH3COO]- 303.228921 200.3
[M+Na-2H]- 265.189736 167.5
[M]+ 244.21452142 167.4
[M]- 244.21561858 167.4
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