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]+ 193.073836 141.8
[M+Na]+ 215.055778 148.6
[M-H]- 191.059284 144.9
[M+NH4]+ 210.100383 163.0
[M+K]+ 231.029718 148.7
[M+H-H2O]+ 175.063820 136.9
[M+HCOO]- 237.064761 163.8
[M+CH3COO]- 251.080411 191.7
[M+Na-2H]- 213.041226 145.5
[M]+ 192.06601142 146.9
[M]- 192.06710858 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.