CID 79886807

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

Structural Information

Molecular Formula
C7H14ClNO
SMILES
CCC(C)CN(C)C(=O)Cl
InChI
InChI=1S/C7H14ClNO/c1-4-6(2)5-9(3)7(8)10/h6H,4-5H2,1-3H3
InChIKey
OHUJBQLRQYVOCI-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-methylbutyl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07639 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08367 135.4
[M+Na]+ 186.06561 142.3
[M-H]- 162.06911 137.1
[M+NH4]+ 181.11021 157.5
[M+K]+ 202.03955 141.6
[M+H-H2O]+ 146.07365 131.4
[M+HCOO]- 208.07459 154.4
[M+CH3COO]- 222.09024 184.5
[M+Na-2H]- 184.05106 138.5
[M]+ 163.07584 138.8
[M]- 163.07694 138.8
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.