CID 89712842

Tert-butyl n-{4-[(4-aminobutyl)(methyl)amino]butyl}carbamate

Structural Information

Molecular Formula
C14H31N3O2
SMILES
CC(C)(C)OC(=O)NCCCCN(C)CCCCN
InChI
InChI=1S/C14H31N3O2/c1-14(2,3)19-13(18)16-10-6-8-12-17(4)11-7-5-9-15/h5-12,15H2,1-4H3,(H,16,18)
InChIKey
HXQNZBWCDZBIFM-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-[4-aminobutyl(methyl)amino]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.24164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.24892 172.5
[M+Na]+ 296.23086 174.6
[M-H]- 272.23436 172.5
[M+NH4]+ 291.27546 188.5
[M+K]+ 312.20480 174.6
[M+H-H2O]+ 256.23890 165.4
[M+HCOO]- 318.23984 194.7
[M+CH3COO]- 332.25549 211.2
[M+Na-2H]- 294.21631 173.7
[M]+ 273.24109 175.3
[M]- 273.24219 175.3
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