CID 17149

1,3-dimethylcyclopentane

Structural Information

Molecular Formula
C7H14
SMILES
CC1CCC(C1)C
InChI
InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3
InChIKey
XAZKFISIRYLAEE-UHFFFAOYSA-N
Compound name
1,3-dimethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

5944
Patents

98.10955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 120.6
[M+Na]+ 121.09877 127.7
[M-H]- 97.102274 124.1
[M+NH4]+ 116.14337 146.0
[M+K]+ 137.07271 127.1
[M+H-H2O]+ 81.106810 116.2
[M+HCOO]- 143.10775 143.6
[M+CH3COO]- 157.12340 167.5
[M+Na-2H]- 119.08422 125.0
[M]+ 98.109001 117.9
[M]- 98.110099 117.9
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