CID 177799718

3028132-82-0

Structural Information

Molecular Formula
C11H24N2O3
SMILES
C[C@@H](COCCCN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H24N2O3/c1-9(8-15-7-5-6-12)13-10(14)16-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKey
PLFZQYYMYJZQDH-VIFPVBQESA-N
Compound name
tert-butyl N-[(2S)-1-(3-aminopropoxy)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1787 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.185976 158.4
[M+Na]+ 255.167918 162.2
[M-H]- 231.171424 157.6
[M+NH4]+ 250.212523 175.7
[M+K]+ 271.141858 162.5
[M+H-H2O]+ 215.175960 152.5
[M+HCOO]- 277.176901 179.4
[M+CH3COO]- 291.192551 196.6
[M+Na-2H]- 253.153366 160.5
[M]+ 232.17815142 160.5
[M]- 232.17924858 160.5
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.