CID 3010120

N,n-dipropyladamantan-1-amine

Structural Information

Molecular Formula
C16H29N
SMILES
CCCN(CCC)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H29N/c1-3-5-17(6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12H2,1-2H3
InChIKey
UCJLRGFERKFOFG-UHFFFAOYSA-N
Compound name
N,N-dipropyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

235.23 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.23728 161.6
[M+Na]+ 258.21922 161.4
[M-H]- 234.22272 157.2
[M+NH4]+ 253.26382 186.4
[M+K]+ 274.19316 158.5
[M+H-H2O]+ 218.22726 154.5
[M+HCOO]- 280.22820 168.9
[M+CH3COO]- 294.24385 169.2
[M+Na-2H]- 256.20467 170.0
[M]+ 235.22945 162.2
[M]- 235.23055 162.2
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