CID 171338320

2923843-71-2

Structural Information

Molecular Formula
C12H26N2O3
SMILES
CC(C)(C)OC(=O)NC(C)(C)COCCCN
InChI
InChI=1S/C12H26N2O3/c1-11(2,3)17-10(15)14-12(4,5)9-16-8-6-7-13/h6-9,13H2,1-5H3,(H,14,15)
InChIKey
KQCOWONATOIWAU-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-aminopropoxy)-2-methylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19434 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.201616 161.8
[M+Na]+ 269.183558 165.8
[M-H]- 245.187064 161.1
[M+NH4]+ 264.228163 178.7
[M+K]+ 285.157498 165.9
[M+H-H2O]+ 229.191600 156.4
[M+HCOO]- 291.192541 181.9
[M+CH3COO]- 305.208191 199.2
[M+Na-2H]- 267.169006 165.6
[M]+ 246.19379142 164.4
[M]- 246.19488858 164.4
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

No patent data available for this compound.