CID 5747555

134871-01-5

Structural Information

Molecular Formula
C7H13ClN2O2
SMILES
CCC/C(=N/OC(=O)N(C)C)/Cl
InChI
InChI=1S/C7H13ClN2O2/c1-4-5-6(8)9-12-7(11)10(2)3/h4-5H2,1-3H3/b9-6-
InChIKey
NEZRGEOILOKAAG-TWGQIWQCSA-N
Compound name
[(Z)-1-chlorobutylideneamino] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07384 141.8
[M+Na]+ 215.05578 148.6
[M-H]- 191.05928 144.9
[M+NH4]+ 210.10038 163.0
[M+K]+ 231.02972 148.7
[M+H-H2O]+ 175.06382 136.9
[M+HCOO]- 237.06476 163.8
[M+CH3COO]- 251.08041 191.7
[M+Na-2H]- 213.04123 145.5
[M]+ 192.06601 146.9
[M]- 192.06711 146.9
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.