CID 36008

31898-06-3

Structural Information

Molecular Formula
C17H29N
SMILES
CC(CC12CC3CC(C1)CC(C3)C2)N4CCCC4
InChI
InChI=1S/C17H29N/c1-13(18-4-2-3-5-18)9-17-10-14-6-15(11-17)8-16(7-14)12-17/h13-16H,2-12H2,1H3
InChIKey
UXHYZLXZHBXNSI-UHFFFAOYSA-N
Compound name
1-[1-(1-adamantyl)propan-2-yl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.23 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.237276 161.3
[M+Na]+ 270.219218 160.5
[M-H]- 246.222724 157.0
[M+NH4]+ 265.263823 185.2
[M+K]+ 286.193158 156.0
[M+H-H2O]+ 230.227260 152.9
[M+HCOO]- 292.228201 164.2
[M+CH3COO]- 306.243851 167.9
[M+Na-2H]- 268.204666 165.5
[M]+ 247.22945142 157.2
[M]- 247.23054858 157.2
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

patents stripe