CID 23132533

331242-61-6

Structural Information

Molecular Formula
C17H35NO8
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C17H35NO8/c1-17(2,3)26-16(20)18-4-6-21-8-10-23-12-14-25-15-13-24-11-9-22-7-5-19/h19H,4-15H2,1-3H3,(H,18,20)
InChIKey
JJZYGSPDXUBTNO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

381.23627 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.243546 191.4
[M+Na]+ 404.225488 192.5
[M-H]- 380.228994 199.4
[M+NH4]+ 399.270093 205.1
[M+K]+ 420.199428 193.3
[M+H-H2O]+ 364.233530 183.7
[M+HCOO]- 426.234471 215.6
[M+CH3COO]- 440.250121 216.9
[M+Na-2H]- 402.210936 193.1
[M]+ 381.23572142 203.2
[M]- 381.23681858 203.2
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