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

1
Patents

217.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.17508 154.2
[M+Na]+ 240.15702 159.2
[M-H]- 216.16052 154.0
[M+NH4]+ 235.20162 172.9
[M+K]+ 256.13096 159.3
[M+H-H2O]+ 200.16506 148.8
[M+HCOO]- 262.16600 175.8
[M+CH3COO]- 276.18165 191.3
[M+Na-2H]- 238.14247 158.4
[M]+ 217.16725 158.9
[M]- 217.16835 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