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]+ 205.15468 148.7
[M+Na]+ 227.13662 153.8
[M-H]- 203.14012 149.8
[M+NH4]+ 222.18122 167.9
[M+K]+ 243.11056 155.5
[M+H-H2O]+ 187.14466 143.0
[M+HCOO]- 249.14560 171.9
[M+CH3COO]- 263.16125 193.1
[M+Na-2H]- 225.12207 152.4
[M]+ 204.14685 152.0
[M]- 204.14795 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.