CID 13205276

20023-50-1

Structural Information

Molecular Formula
C7H11ClO
SMILES
CC1(CCCC1)C(=O)Cl
InChI
InChI=1S/C7H11ClO/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3
InChIKey
NECUSOPHCDZPGU-UHFFFAOYSA-N
Compound name
1-methylcyclopentane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

146.04984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 129.8
[M+Na]+ 169.03906 137.6
[M-H]- 145.04256 133.1
[M+NH4]+ 164.08366 155.5
[M+K]+ 185.01300 135.1
[M+H-H2O]+ 129.04710 126.5
[M+HCOO]- 191.04804 147.6
[M+CH3COO]- 205.06369 171.7
[M+Na-2H]- 167.02451 134.1
[M]+ 146.04929 128.8
[M]- 146.05039 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe