CID 123132112

T-boc-n-amido-peg4-propargyl

Structural Information

Molecular Formula
C16H29NO6
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCC#C
InChI
InChI=1S/C16H29NO6/c1-5-7-19-9-11-21-13-14-22-12-10-20-8-6-17-15(18)23-16(2,3)4/h1H,6-14H2,2-4H3,(H,17,18)
InChIKey
AHCBQLUQQSACBL-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

331.1995 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20678 174.5
[M+Na]+ 354.18872 179.5
[M-H]- 330.19222 172.8
[M+NH4]+ 349.23332 186.6
[M+K]+ 370.16266 179.5
[M+H-H2O]+ 314.19676 161.9
[M+HCOO]- 376.19770 190.0
[M+CH3COO]- 390.21335 215.7
[M+Na-2H]- 352.17417 176.4
[M]+ 331.19895 178.4
[M]- 331.20005 178.4
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