CID 63787826

Tert-butyl n-(4-methoxybutyl)carbamate

Structural Information

Molecular Formula
C10H21NO3
SMILES
CC(C)(C)OC(=O)NCCCCOC
InChI
InChI=1S/C10H21NO3/c1-10(2,3)14-9(12)11-7-5-6-8-13-4/h5-8H2,1-4H3,(H,11,12)
InChIKey
NRIMNJXWDPLBNK-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methoxybutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

203.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15943 149.6
[M+Na]+ 226.14137 154.9
[M-H]- 202.14487 149.5
[M+NH4]+ 221.18597 168.8
[M+K]+ 242.11531 155.3
[M+H-H2O]+ 186.14941 144.4
[M+HCOO]- 248.15035 171.5
[M+CH3COO]- 262.16600 188.3
[M+Na-2H]- 224.12682 154.2
[M]+ 203.15160 153.9
[M]- 203.15270 153.9
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