CID 5035176

N-(furan-2-ylmethyl)adamantan-1-amine

Structural Information

Molecular Formula
C15H21NO
SMILES
C1C2CC3CC1CC(C2)(C3)NCC4=CC=CO4
InChI
InChI=1S/C15H21NO/c1-2-14(17-3-1)10-16-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13,16H,4-10H2
InChIKey
BQJTZOSPFAXOEO-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 146.5
[M+Na]+ 254.151528 148.5
[M-H]- 230.155034 145.6
[M+NH4]+ 249.196133 171.4
[M+K]+ 270.125468 145.5
[M+H-H2O]+ 214.159570 139.7
[M+HCOO]- 276.160511 155.9
[M+CH3COO]- 290.176161 155.9
[M+Na-2H]- 252.136976 157.2
[M]+ 231.16176142 146.7
[M]- 231.16285858 146.7
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

patents stripe