CID 64154

1-chloroadamantane

Structural Information

Molecular Formula
C10H15Cl
SMILES
C1C2CC3CC1CC(C2)(C3)Cl
InChI
InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey
OZNXTQSXSHODFR-UHFFFAOYSA-N
Compound name
1-chloroadamantane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

1057
Patents

170.08623 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09351 138.5
[M+Na]+ 193.07545 142.8
[M-H]- 169.07895 134.5
[M+NH4]+ 188.12005 166.7
[M+K]+ 209.04939 138.3
[M+H-H2O]+ 153.08349 133.9
[M+HCOO]- 215.08443 142.6
[M+CH3COO]- 229.10008 148.6
[M+Na-2H]- 191.06090 150.0
[M]+ 170.08568 139.0
[M]- 170.08678 139.0
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