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]+ 260.196876 164.8
[M+Na]+ 282.178818 167.5
[M-H]- 258.182324 163.8
[M+NH4]+ 277.223423 180.5
[M+K]+ 298.152758 167.2
[M+H-H2O]+ 242.186860 158.2
[M+HCOO]- 304.187801 186.6
[M+CH3COO]- 318.203451 203.3
[M+Na-2H]- 280.164266 166.6
[M]+ 259.18905142 165.5
[M]- 259.19014858 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.