CID 79887172

N-methyl-n-[(1-methylpiperidin-4-yl)methyl]carbamoyl chloride hydrochloride

Structural Information

Molecular Formula
C9H17ClN2O
SMILES
CN1CCC(CC1)CN(C)C(=O)Cl
InChI
InChI=1S/C9H17ClN2O/c1-11-5-3-8(4-6-11)7-12(2)9(10)13/h8H,3-7H2,1-2H3
InChIKey
SEWCJSGUYKOWPT-UHFFFAOYSA-N
Compound name
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.10294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11022 145.8
[M+Na]+ 227.09216 151.1
[M-H]- 203.09566 148.4
[M+NH4]+ 222.13676 164.6
[M+K]+ 243.06610 149.6
[M+H-H2O]+ 187.10020 139.6
[M+HCOO]- 249.10114 161.0
[M+CH3COO]- 263.11679 189.7
[M+Na-2H]- 225.07761 148.1
[M]+ 204.10239 144.7
[M]- 204.10349 144.7
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.