CID 14673135

N-butyl-n-methylcarbamoyl chloride

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CCCCN(C)C(=O)Cl
InChI
InChI=1S/C6H12ClNO/c1-3-4-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKey
CHGVIQWWXDOWRN-UHFFFAOYSA-N
Compound name
N-butyl-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

149.06075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.068026 130.8
[M+Na]+ 172.049968 138.2
[M-H]- 148.053474 132.5
[M+NH4]+ 167.094573 153.4
[M+K]+ 188.023908 137.4
[M+H-H2O]+ 132.058010 126.8
[M+HCOO]- 194.058951 151.1
[M+CH3COO]- 208.074601 180.6
[M+Na-2H]- 170.035416 135.6
[M]+ 149.06020142 134.3
[M]- 149.06129858 134.3
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