CID 9815466

134676-36-1

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)NCC(C=C)O
InChI
InChI=1S/C9H17NO3/c1-5-7(11)6-10-8(12)13-9(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,10,12)
InChIKey
FBTJXGHOIORLFL-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxybut-3-enyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 144.0
[M+Na]+ 210.110068 149.4
[M-H]- 186.113574 142.8
[M+NH4]+ 205.154673 163.0
[M+K]+ 226.084008 149.1
[M+H-H2O]+ 170.118110 139.4
[M+HCOO]- 232.119051 164.0
[M+CH3COO]- 246.134701 182.6
[M+Na-2H]- 208.095516 147.4
[M]+ 187.12030142 144.6
[M]- 187.12139858 144.6
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