CID 77078283

1404111-67-6

Structural Information

Molecular Formula
C15H31NO7
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCO
InChI
InChI=1S/C15H31NO7/c1-15(2,3)23-14(18)16-4-6-19-8-10-21-12-13-22-11-9-20-7-5-17/h17H,4-13H2,1-3H3,(H,16,18)
InChIKey
PBWLVPPLXJCLBC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

337.21005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21733 181.1
[M+Na]+ 360.19927 183.3
[M-H]- 336.20277 178.4
[M+NH4]+ 355.24387 194.3
[M+K]+ 376.17321 183.9
[M+H-H2O]+ 320.20731 174.1
[M+HCOO]- 382.20825 206.3
[M+CH3COO]- 396.22390 209.0
[M+Na-2H]- 358.18472 183.5
[M]+ 337.20950 191.1
[M]- 337.21060 191.1
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