CID 496761

Nsc698212

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(=C)C1(CCCC1NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C13H23NO3/c1-9(2)13(16)8-6-7-10(13)14-11(15)17-12(3,4)5/h10,16H,1,6-8H2,2-5H3,(H,14,15)
InChIKey
ZACXCDRPKUSLNU-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxy-2-prop-1-en-2-ylcyclopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 158.0
[M+Na]+ 264.15702 162.7
[M-H]- 240.16052 159.8
[M+NH4]+ 259.20162 178.5
[M+K]+ 280.13096 161.5
[M+H-H2O]+ 224.16506 154.2
[M+HCOO]- 286.16600 176.1
[M+CH3COO]- 300.18165 191.6
[M+Na-2H]- 262.14247 159.2
[M]+ 241.16725 156.2
[M]- 241.16835 156.2
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

No patent data available for this compound.