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

15
Patents

176.13318 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.14046 143.0
[M+Na]+ 199.12240 149.8
[M-H]- 175.12590 142.8
[M+NH4]+ 194.16700 164.5
[M+K]+ 215.09634 146.8
[M+H-H2O]+ 159.13044 139.5
[M+HCOO]- 221.13138 159.4
[M+CH3COO]- 235.14703 183.8
[M+Na-2H]- 197.10785 148.1
[M]+ 176.13263 147.0
[M]- 176.13373 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