CID 11160790

(e)-tert-butyl 4-chlorobenzylidenecarbamate

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
CC(C)(C)OC(=O)/N=C/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H14ClNO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-8H,1-3H3/b14-8+
InChIKey
NZWWXKWBUQUIIT-RIYZIHGNSA-N
Compound name
tert-butyl (NE)-N-[(4-chlorophenyl)methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

239.0713 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 152.4
[M+Na]+ 262.06052 160.9
[M-H]- 238.06402 157.6
[M+NH4]+ 257.10512 171.8
[M+K]+ 278.03446 157.8
[M+H-H2O]+ 222.06856 147.2
[M+HCOO]- 284.06950 172.3
[M+CH3COO]- 298.08515 193.5
[M+Na-2H]- 260.04597 158.1
[M]+ 239.07075 157.1
[M]- 239.07185 157.1
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