CID 2836010

(3-chloroadamantan-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H18ClN
SMILES
C1C2CC3(CC1CC(C2)(C3)Cl)CN
InChI
InChI=1S/C11H18ClN/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9H,1-7,13H2
InChIKey
QQGQLEXVVFHBGT-UHFFFAOYSA-N
Compound name
(3-chloro-1-adamantyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

199.11278 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12006 147.7
[M+Na]+ 222.10200 152.1
[M-H]- 198.10550 143.0
[M+NH4]+ 217.14660 176.1
[M+K]+ 238.07594 146.9
[M+H-H2O]+ 182.11004 142.7
[M+HCOO]- 244.11098 151.6
[M+CH3COO]- 258.12663 156.9
[M+Na-2H]- 220.08745 158.9
[M]+ 199.11223 147.4
[M]- 199.11333 147.4
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