CID 57635730

1041345-05-4

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(=O)NCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C10H20N2O3/c1-8(13)11-6-5-7-12-9(14)15-10(2,3)4/h5-7H2,1-4H3,(H,11,13)(H,12,14)
InChIKey
UURMRXVNPHJYPC-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-acetamidopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

216.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.154676 152.2
[M+Na]+ 239.136618 156.8
[M-H]- 215.140124 152.3
[M+NH4]+ 234.181223 170.4
[M+K]+ 255.110558 157.2
[M+H-H2O]+ 199.144660 146.7
[M+HCOO]- 261.145601 174.4
[M+CH3COO]- 275.161251 192.6
[M+Na-2H]- 237.122066 155.9
[M]+ 216.14685142 154.2
[M]- 216.14794858 154.2
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