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

95
Patents

243.14706 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 156.2
[M+Na]+ 266.136278 163.0
[M-H]- 242.139784 155.3
[M+NH4]+ 261.180883 171.7
[M+K]+ 282.110218 162.6
[M+H-H2O]+ 226.144320 144.7
[M+HCOO]- 288.145261 172.4
[M+CH3COO]- 302.160911 201.4
[M+Na-2H]- 264.121726 159.4
[M]+ 243.14651142 156.1
[M]- 243.14760858 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