CID 14395668

121030-33-9

Structural Information

Molecular Formula
C9H16ClNO2
SMILES
CC(C)(C)OC(=O)NC/C=C/CCl
InChI
InChI=1S/C9H16ClNO2/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
GNEQBZCNASXUAW-SNAWJCMRSA-N
Compound name
tert-butyl N-[(E)-4-chlorobut-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

205.08696 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09424 146.9
[M+Na]+ 228.07618 154.0
[M-H]- 204.07968 147.2
[M+NH4]+ 223.12078 167.0
[M+K]+ 244.05012 151.3
[M+H-H2O]+ 188.08422 143.2
[M+HCOO]- 250.08516 164.8
[M+CH3COO]- 264.10081 185.4
[M+Na-2H]- 226.06163 151.7
[M]+ 205.08641 150.4
[M]- 205.08751 150.4
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