CID 45791722

Tert-butyl n-(4-ethoxybutyl)carbamate

Structural Information

Molecular Formula
C11H23NO3
SMILES
CCOCCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO3/c1-5-14-9-7-6-8-12-10(13)15-11(2,3)4/h5-9H2,1-4H3,(H,12,13)
InChIKey
YDGMXFYCJMCVQX-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-ethoxybutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.175076 154.2
[M+Na]+ 240.157018 159.2
[M-H]- 216.160524 154.0
[M+NH4]+ 235.201623 172.9
[M+K]+ 256.130958 159.3
[M+H-H2O]+ 200.165060 148.8
[M+HCOO]- 262.166001 175.8
[M+CH3COO]- 276.181651 191.3
[M+Na-2H]- 238.142466 158.4
[M]+ 217.16725142 158.9
[M]- 217.16834858 158.9
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