CID 91667274

Tert-butyl n-(3-aminopropoxy)-n-methylcarbamate

Structural Information

Molecular Formula
C9H20N2O3
SMILES
CC(C)(C)OC(=O)N(C)OCCCN
InChI
InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11(4)13-7-5-6-10/h5-7,10H2,1-4H3
InChIKey
XTBLWBPAUVGQCU-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-aminopropoxy)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.154676 148.7
[M+Na]+ 227.136618 153.8
[M-H]- 203.140124 149.8
[M+NH4]+ 222.181223 167.9
[M+K]+ 243.110558 155.5
[M+H-H2O]+ 187.144660 143.0
[M+HCOO]- 249.145601 171.9
[M+CH3COO]- 263.161251 193.1
[M+Na-2H]- 225.122066 152.4
[M]+ 204.14685142 152.0
[M]- 204.14794858 152.0
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

No patent data available for this compound.