CID 11263760

Tert-butyl but-3-en-1-ylcarbamate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C)OC(=O)NCCC=C
InChI
InChI=1S/C9H17NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKey
YWSXTMBDIBZHBB-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

171.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.5
[M+Na]+ 194.115148 146.7
[M-H]- 170.118654 140.8
[M+NH4]+ 189.159753 161.0
[M+K]+ 210.089088 146.2
[M+H-H2O]+ 154.123190 135.9
[M+HCOO]- 216.124131 162.8
[M+CH3COO]- 230.139781 182.2
[M+Na-2H]- 192.100596 145.7
[M]+ 171.12538142 142.2
[M]- 171.12647858 142.2
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