CID 163500542

1-{5,5-dimethylbicyclo[2.1.1]hexan-1-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C9H17N
SMILES
CC1(C2CCC1(C2)CN)C
InChI
InChI=1S/C9H17N/c1-8(2)7-3-4-9(8,5-7)6-10/h7H,3-6,10H2,1-2H3
InChIKey
CUIMCRMXLKQATI-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-1-bicyclo[2.1.1]hexanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.1361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 141.6
[M+Na]+ 162.12532 148.5
[M-H]- 138.12882 142.9
[M+NH4]+ 157.16992 167.4
[M+K]+ 178.09926 148.3
[M+H-H2O]+ 122.13336 135.6
[M+HCOO]- 184.13430 160.0
[M+CH3COO]- 198.14995 182.9
[M+Na-2H]- 160.11077 148.7
[M]+ 139.13555 152.5
[M]- 139.13665 152.5
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

No patent data available for this compound.