CID 138189

2-chloro-2-methylnonane

Structural Information

Molecular Formula
C10H21Cl
SMILES
CCCCCCCC(C)(C)Cl
InChI
InChI=1S/C10H21Cl/c1-4-5-6-7-8-9-10(2,3)11/h4-9H2,1-3H3
InChIKey
QDJXQCKHBZEIJM-UHFFFAOYSA-N
Compound name
2-chloro-2-methylnonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

176.13318 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.140456 143.0
[M+Na]+ 199.122398 149.8
[M-H]- 175.125904 142.8
[M+NH4]+ 194.167003 164.5
[M+K]+ 215.096338 146.8
[M+H-H2O]+ 159.130440 139.5
[M+HCOO]- 221.131381 159.4
[M+CH3COO]- 235.147031 183.8
[M+Na-2H]- 197.107846 148.1
[M]+ 176.13263142 147.0
[M]- 176.13372858 147.0
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