CID 40433

Adamantane, 1-(4-dimethylaminobutyl)-, hydrochloride

Structural Information

Molecular Formula
C16H29N
SMILES
CN(C)CCCCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H29N/c1-17(2)6-4-3-5-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12H2,1-2H3
InChIKey
HZXGEQMCULUUGD-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.23 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.23728 159.9
[M+Na]+ 258.21922 168.3
[M+NH4]+ 253.26382 173.3
[M+K]+ 274.19316 157.6
[M-H]- 234.22272 159.5
[M+Na-2H]- 256.20467 157.3
[M]+ 235.22945 161.1
[M]- 235.23055 161.1
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.