CID 134129018

Tert-butyl n-[3-(4-aminobutanamido)propyl]carbamate

Structural Information

Molecular Formula
C12H25N3O3
SMILES
CC(C)(C)OC(=O)NCCCNC(=O)CCCN
InChI
InChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)15-9-5-8-14-10(16)6-4-7-13/h4-9,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKey
RZTVTIHLKRTBSD-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(4-aminobutanoylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1896 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.19688 164.8
[M+Na]+ 282.17882 167.5
[M-H]- 258.18232 163.8
[M+NH4]+ 277.22342 180.5
[M+K]+ 298.15276 167.2
[M+H-H2O]+ 242.18686 158.2
[M+HCOO]- 304.18780 186.6
[M+CH3COO]- 318.20345 203.3
[M+Na-2H]- 280.16427 166.6
[M]+ 259.18905 165.5
[M]- 259.19015 165.5
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

No patent data available for this compound.