CID 136576297

Tert-butyl n-(2,2-dichlorocyclopropyl)carbamate

Structural Information

Molecular Formula
C8H13Cl2NO2
SMILES
CC(C)(C)OC(=O)NC1CC1(Cl)Cl
InChI
InChI=1S/C8H13Cl2NO2/c1-7(2,3)13-6(12)11-5-4-8(5,9)10/h5H,4H2,1-3H3,(H,11,12)
InChIKey
DHQJRQCIVJMDBQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,2-dichlorocyclopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.03233 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03961 141.6
[M+Na]+ 248.02155 151.6
[M-H]- 224.02505 145.9
[M+NH4]+ 243.06615 158.3
[M+K]+ 263.99549 148.0
[M+H-H2O]+ 208.02959 139.4
[M+HCOO]- 270.03053 154.7
[M+CH3COO]- 284.04618 190.8
[M+Na-2H]- 246.00700 147.4
[M]+ 225.03178 148.1
[M]- 225.03288 148.1
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

No patent data available for this compound.