CID 79880813

N-methyl-n-(2-methylpropyl)carbamoyl chloride

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CC(C)CN(C)C(=O)Cl
InChI
InChI=1S/C6H12ClNO/c1-5(2)4-8(3)6(7)9/h5H,4H2,1-3H3
InChIKey
BWOVQCBKUXJWNF-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-methylpropyl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

149.06075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.068026 130.6
[M+Na]+ 172.049968 137.9
[M-H]- 148.053474 132.5
[M+NH4]+ 167.094573 153.2
[M+K]+ 188.023908 137.5
[M+H-H2O]+ 132.058010 126.8
[M+HCOO]- 194.058951 149.9
[M+CH3COO]- 208.074601 181.5
[M+Na-2H]- 170.035416 134.3
[M]+ 149.06020142 133.6
[M]- 149.06129858 133.6
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