CID 15177055

Tert-butyl n-[(2e)-4-bromobut-2-en-1-yl]carbamate

Structural Information

Molecular Formula
C9H16BrNO2
SMILES
CC(C)(C)OC(=O)NC/C=C/CBr
InChI
InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKey
KFAINQNRKIOOKW-SNAWJCMRSA-N
Compound name
tert-butyl N-[(E)-4-bromobut-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

249.03644 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04372 151.4
[M+Na]+ 272.02566 160.9
[M-H]- 248.02916 154.1
[M+NH4]+ 267.07026 172.2
[M+K]+ 287.99960 150.2
[M+H-H2O]+ 232.03370 151.2
[M+HCOO]- 294.03464 171.0
[M+CH3COO]- 308.05029 191.5
[M+Na-2H]- 270.01111 157.3
[M]+ 249.03589 171.1
[M]- 249.03699 171.1
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