CID 3010132

N-(1-adamantylmethyl)propan-1-amine

Structural Information

Molecular Formula
C14H25N
SMILES
CCCNCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H25N/c1-2-3-15-10-14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13,15H,2-10H2,1H3
InChIKey
XAQASDPZAPEFCX-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

207.1987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.20598 151.2
[M+Na]+ 230.18792 152.0
[M-H]- 206.19142 146.1
[M+NH4]+ 225.23252 176.7
[M+K]+ 246.16186 148.4
[M+H-H2O]+ 190.19596 144.7
[M+HCOO]- 252.19690 158.9
[M+CH3COO]- 266.21255 159.3
[M+Na-2H]- 228.17337 161.7
[M]+ 207.19815 150.4
[M]- 207.19925 150.4
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