CID 79887171

2,2-dimethylpyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CC1(CCCN1C(=O)Cl)C
InChI
InChI=1S/C7H12ClNO/c1-7(2)4-3-5-9(7)6(8)10/h3-5H2,1-2H3
InChIKey
ZLWCGSZACCSMTG-UHFFFAOYSA-N
Compound name
2,2-dimethylpyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.06075 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.068026 132.1
[M+Na]+ 184.049968 140.8
[M-H]- 160.053474 134.3
[M+NH4]+ 179.094573 156.3
[M+K]+ 200.023908 138.5
[M+H-H2O]+ 144.058010 128.0
[M+HCOO]- 206.058951 148.6
[M+CH3COO]- 220.074601 174.7
[M+Na-2H]- 182.035416 135.8
[M]+ 161.06020142 131.9
[M]- 161.06129858 131.9
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