CID 146598446

2434844-28-5

Structural Information

Molecular Formula
C12H26N2O3
SMILES
CC(C)(C)OC(=O)N(C)CCCOCCCN
InChI
InChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)14(4)8-6-10-16-9-5-7-13/h5-10,13H2,1-4H3
InChIKey
HFJJYXCWZMNFNS-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(3-aminopropoxy)propyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

246.19434 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.201616 162.6
[M+Na]+ 269.183558 166.4
[M-H]- 245.187064 163.1
[M+NH4]+ 264.228163 180.1
[M+K]+ 285.157498 167.4
[M+H-H2O]+ 229.191600 156.4
[M+HCOO]- 291.192541 184.8
[M+CH3COO]- 305.208191 202.1
[M+Na-2H]- 267.169006 164.7
[M]+ 246.19379142 167.0
[M]- 246.19488858 167.0
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