CID 35976

31897-81-1

Structural Information

Molecular Formula
C15H26ClN
SMILES
CC(CC12CC3CC(C1)CC(C3)C2Cl)N(C)C
InChI
InChI=1S/C15H26ClN/c1-10(17(2)3)7-15-8-11-4-12(9-15)6-13(5-11)14(15)16/h10-14H,4-9H2,1-3H3
InChIKey
QHTFHSOYVXENEB-UHFFFAOYSA-N
Compound name
1-(2-chloro-1-adamantyl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17538 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18266 166.0
[M+Na]+ 278.16460 167.7
[M-H]- 254.16810 162.0
[M+NH4]+ 273.20920 191.1
[M+K]+ 294.13854 164.0
[M+H-H2O]+ 238.17264 160.7
[M+HCOO]- 300.17358 168.3
[M+CH3COO]- 314.18923 173.7
[M+Na-2H]- 276.15005 172.5
[M]+ 255.17483 168.1
[M]- 255.17593 168.1
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.