CID 59512492

911114-89-1

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CN(CC1CCCCC1)C(=O)Cl
InChI
InChI=1S/C9H16ClNO/c1-11(9(10)12)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKey
GZFSOAYFGZHYSW-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

189.09204 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09932 142.4
[M+Na]+ 212.08126 146.9
[M-H]- 188.08476 146.2
[M+NH4]+ 207.12586 162.9
[M+K]+ 228.05520 145.3
[M+H-H2O]+ 172.08930 137.1
[M+HCOO]- 234.09024 159.0
[M+CH3COO]- 248.10589 185.9
[M+Na-2H]- 210.06671 145.3
[M]+ 189.09149 140.5
[M]- 189.09259 140.5
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