CID 12721615

(3-methyladamantan-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H21N
SMILES
CC12CC3CC(C1)CC(C3)(C2)CN
InChI
InChI=1S/C12H21N/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)8-13/h9-10H,2-8,13H2,1H3
InChIKey
ADIWBFCAFMHINM-UHFFFAOYSA-N
Compound name
(3-methyl-1-adamantyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.1674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 145.3
[M+Na]+ 202.156618 148.4
[M-H]- 178.160124 140.5
[M+NH4]+ 197.201223 173.6
[M+K]+ 218.130558 144.6
[M+H-H2O]+ 162.164660 139.0
[M+HCOO]- 224.165601 153.0
[M+CH3COO]- 238.181251 154.4
[M+Na-2H]- 200.142066 156.5
[M]+ 179.16685142 143.3
[M]- 179.16794858 143.3
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