CID 3077923

136375-83-2

Structural Information

Molecular Formula
C15H23N
SMILES
CCCCNC1C2C3CC4C1C5C2CC3C45
InChI
InChI=1S/C15H23N/c1-2-3-4-16-15-12-8-6-9-11-7(8)5-10(12)13(11)14(9)15/h7-16H,2-6H2,1H3
InChIKey
NLCLGWPVZGHXDN-UHFFFAOYSA-N
Compound name
N-butylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.18304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 156.8
[M+Na]+ 240.172258 161.0
[M-H]- 216.175764 160.3
[M+NH4]+ 235.216863 180.5
[M+K]+ 256.146198 159.8
[M+H-H2O]+ 200.180300 150.8
[M+HCOO]- 262.181241 172.9
[M+CH3COO]- 276.196891 167.9
[M+Na-2H]- 238.157706 155.9
[M]+ 217.18249142 168.4
[M]- 217.18358858 168.4
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