CID 25029

10171-76-3

Structural Information

Molecular Formula
C16H27N
SMILES
C1CC2CC1CC2CNCC3CC4CCC3C4
InChI
InChI=1S/C16H27N/c1-3-13-5-11(1)7-15(13)9-17-10-16-8-12-2-4-14(16)6-12/h11-17H,1-10H2
InChIKey
CEKRYRXNZFBGPG-UHFFFAOYSA-N
Compound name
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.21436 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 161.5
[M+Na]+ 256.20358 164.9
[M-H]- 232.20708 166.2
[M+NH4]+ 251.24818 188.5
[M+K]+ 272.17752 161.2
[M+H-H2O]+ 216.21162 157.3
[M+HCOO]- 278.21256 179.6
[M+CH3COO]- 292.22821 172.3
[M+Na-2H]- 254.18903 158.6
[M]+ 233.21381 157.5
[M]- 233.21491 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.