CID 3614320

510754-90-2

Structural Information

Molecular Formula
C14H30N2O2
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCN
InChI
InChI=1S/C14H30N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-4-5-7-9-11-15/h4-12,15H2,1-3H3,(H,16,17)
InChIKey
GZUNGYDAMPRXSU-UHFFFAOYSA-N
Compound name
tert-butyl N-(9-aminononyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

258.23074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.238016 169.0
[M+Na]+ 281.219958 171.8
[M-H]- 257.223464 167.6
[M+NH4]+ 276.264563 185.4
[M+K]+ 297.193898 170.4
[M+H-H2O]+ 241.228000 162.7
[M+HCOO]- 303.228941 189.7
[M+CH3COO]- 317.244591 202.7
[M+Na-2H]- 279.205406 170.6
[M]+ 258.23019142 171.4
[M]- 258.23128858 171.4
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