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 142.6
[M+Na]+ 198.12532 148.1
[M-H]- 174.12882 146.8
[M+NH4]+ 193.16992 168.0
[M+K]+ 214.09926 147.6
[M+H-H2O]+ 158.13336 137.1
[M+HCOO]- 220.13430 159.8
[M+CH3COO]- 234.14995 155.1
[M+Na-2H]- 196.11077 143.4
[M]+ 175.13555 153.4
[M]- 175.13665 153.4
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