CID 10241245

Tert-butyl n-methyl-n-(prop-2-en-1-yl)carbamate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C)OC(=O)N(C)CC=C
InChI
InChI=1S/C9H17NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h6H,1,7H2,2-5H3
InChIKey
SCCPQPQIOJNZIE-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

171.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.4
[M+Na]+ 194.11515 145.8
[M-H]- 170.11865 141.2
[M+NH4]+ 189.15975 160.6
[M+K]+ 210.08909 146.8
[M+H-H2O]+ 154.12319 134.7
[M+HCOO]- 216.12413 162.2
[M+CH3COO]- 230.13978 185.8
[M+Na-2H]- 192.10060 144.0
[M]+ 171.12538 142.5
[M]- 171.12648 142.5
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