CID 21913902

634926-63-9

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)NCCOCC#C
InChI
InChI=1S/C10H17NO3/c1-5-7-13-8-6-11-9(12)14-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
POPGBGYTSRQYLK-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-prop-2-ynoxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

199.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 146.5
[M+Na]+ 222.110068 154.2
[M-H]- 198.113574 146.0
[M+NH4]+ 217.154673 163.7
[M+K]+ 238.084008 153.7
[M+H-H2O]+ 182.118110 135.5
[M+HCOO]- 244.119051 163.1
[M+CH3COO]- 258.134701 194.1
[M+Na-2H]- 220.095516 150.5
[M]+ 199.12030142 144.5
[M]- 199.12139858 144.5
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