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

183
Patents

199.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 146.5
[M+Na]+ 222.11007 154.2
[M-H]- 198.11357 146.0
[M+NH4]+ 217.15467 163.7
[M+K]+ 238.08401 153.7
[M+H-H2O]+ 182.11811 135.5
[M+HCOO]- 244.11905 163.1
[M+CH3COO]- 258.13470 194.1
[M+Na-2H]- 220.09552 150.5
[M]+ 199.12030 144.5
[M]- 199.12140 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