CID 126681963

928144-84-7

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)N(C)CC#CCO
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11(4)7-5-6-8-12/h12H,7-8H2,1-4H3
InChIKey
UEWJSCVDYDZNOQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-hydroxybut-2-ynyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 148.0
[M+Na]+ 222.110068 155.6
[M-H]- 198.113574 147.6
[M+NH4]+ 217.154673 165.2
[M+K]+ 238.084008 155.6
[M+H-H2O]+ 182.118110 137.1
[M+HCOO]- 244.119051 163.7
[M+CH3COO]- 258.134701 193.7
[M+Na-2H]- 220.095516 150.7
[M]+ 199.12030142 145.2
[M]- 199.12139858 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe