CID 35966

31878-61-2

Structural Information

Molecular Formula
C16H28ClN
SMILES
CC(C)NC(C)CC12CC3CC(C1)CC(C3)C2Cl
InChI
InChI=1S/C16H28ClN/c1-10(2)18-11(3)7-16-8-12-4-13(9-16)6-14(5-12)15(16)17/h10-15,18H,4-9H2,1-3H3
InChIKey
VXASKIJWRJQXHC-UHFFFAOYSA-N
Compound name
1-(2-chloro-1-adamantyl)-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.19104 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19832 170.9
[M+Na]+ 292.18026 171.9
[M-H]- 268.18376 165.4
[M+NH4]+ 287.22486 194.8
[M+K]+ 308.15420 167.2
[M+H-H2O]+ 252.18830 166.0
[M+HCOO]- 314.18924 171.4
[M+CH3COO]- 328.20489 177.6
[M+Na-2H]- 290.16571 176.6
[M]+ 269.19049 171.7
[M]- 269.19159 171.7
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.