CID 142259

3-chloro-2-methylpentane

Structural Information

Molecular Formula
C6H13Cl
SMILES
CCC(C(C)C)Cl
InChI
InChI=1S/C6H13Cl/c1-4-6(7)5(2)3/h5-6H,4H2,1-3H3
InChIKey
FCPXHGJZKRXGJY-UHFFFAOYSA-N
Compound name
3-chloro-2-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

120.07058 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.07786 124.2
[M+Na]+ 143.05980 131.7
[M-H]- 119.06330 124.6
[M+NH4]+ 138.10440 147.7
[M+K]+ 159.03374 130.3
[M+H-H2O]+ 103.06784 121.1
[M+HCOO]- 165.06878 141.5
[M+CH3COO]- 179.08443 173.0
[M+Na-2H]- 141.04525 128.5
[M]+ 120.07003 125.9
[M]- 120.07113 125.9
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