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]+ 140.143376 141.6
[M+Na]+ 162.125318 148.5
[M-H]- 138.128824 142.9
[M+NH4]+ 157.169923 167.4
[M+K]+ 178.099258 148.3
[M+H-H2O]+ 122.133360 135.6
[M+HCOO]- 184.134301 160.0
[M+CH3COO]- 198.149951 182.9
[M+Na-2H]- 160.110766 148.7
[M]+ 139.13555142 152.5
[M]- 139.13664858 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

patents stripe