CID 3077915

136375-79-6

Structural Information

Molecular Formula
C12H17N
SMILES
CNC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C12H17N/c1-13-12-9-5-3-6-8-4(5)2-7(9)10(8)11(6)12/h4-13H,2-3H2,1H3
InChIKey
SXLLHCCBQVMPMW-UHFFFAOYSA-N
Compound name
N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

175.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 134.0
[M+Na]+ 198.12532 136.4
[M+NH4]+ 193.16992 142.0
[M+K]+ 214.09926 139.5
[M-H]- 174.12882 131.5
[M+Na-2H]- 196.11077 127.9
[M]+ 175.13555 132.3
[M]- 175.13665 132.3
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