CID 38939

2-(3-dimethylaminopropylidene)adamantane hydrochloride

Structural Information

Molecular Formula
C15H25N
SMILES
CN(C)CCC=C1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C15H25N/c1-16(2)5-3-4-15-13-7-11-6-12(9-13)10-14(15)8-11/h4,11-14H,3,5-10H2,1-2H3
InChIKey
VHOVJHZDVFIBCX-UHFFFAOYSA-N
Compound name
3-(2-adamantylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.205976 154.7
[M+Na]+ 242.187918 155.0
[M-H]- 218.191424 150.7
[M+NH4]+ 237.232523 178.5
[M+K]+ 258.161858 152.1
[M+H-H2O]+ 202.195960 148.5
[M+HCOO]- 264.196901 162.7
[M+CH3COO]- 278.212551 162.8
[M+Na-2H]- 240.173366 162.4
[M]+ 219.19815142 154.4
[M]- 219.19924858 154.4
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.