CID 161680

2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Structural Information

Molecular Formula
C10H15Cl
SMILES
CC1(C2CC=C(C1C2)CCl)C
InChI
InChI=1S/C10H15Cl/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6H2,1-2H3
InChIKey
HJMBBNXCSKYLPS-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

170.08623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.093506 143.3
[M+Na]+ 193.075448 151.5
[M-H]- 169.078954 143.2
[M+NH4]+ 188.120053 165.1
[M+K]+ 209.049388 150.2
[M+H-H2O]+ 153.083490 136.8
[M+HCOO]- 215.084431 154.0
[M+CH3COO]- 229.100081 188.2
[M+Na-2H]- 191.060896 153.3
[M]+ 170.08568142 157.1
[M]- 170.08677858 157.1
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