CID 57757214

869310-84-9

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCCOCCOCC#C
InChI
InChI=1S/C12H21NO4/c1-5-7-15-9-10-16-8-6-13-11(14)17-12(2,3)4/h1H,6-10H2,2-4H3,(H,13,14)
InChIKey
WBOOWEAGRWGHMV-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-prop-2-ynoxyethoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

243.14706 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.2
[M+Na]+ 266.13628 163.0
[M-H]- 242.13978 155.3
[M+NH4]+ 261.18088 171.7
[M+K]+ 282.11022 162.6
[M+H-H2O]+ 226.14432 144.7
[M+HCOO]- 288.14526 172.4
[M+CH3COO]- 302.16091 201.4
[M+Na-2H]- 264.12173 159.4
[M]+ 243.14651 156.1
[M]- 243.14761 156.1
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