CID 38941

N,n-dimethyl-1-(adamantan-2-yl)-2-propanamine

Structural Information

Molecular Formula
C15H27N
SMILES
CN(C)CCCC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C15H27N/c1-16(2)5-3-4-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,3-10H2,1-2H3
InChIKey
DGLCHIYTHOLYDF-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.21436 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.22164 156.3
[M+Na]+ 244.20358 156.2
[M-H]- 220.20708 152.2
[M+NH4]+ 239.24818 180.0
[M+K]+ 260.17752 153.8
[M+H-H2O]+ 204.21162 149.9
[M+HCOO]- 266.21256 164.0
[M+CH3COO]- 280.22821 164.2
[M+Na-2H]- 242.18903 163.9
[M]+ 221.21381 156.7
[M]- 221.21491 156.7
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

No patent data available for this compound.