CID 5281689

Pinidine

Structural Information

Molecular Formula
C9H17N
SMILES
C/C=C/[C@H]1CCC[C@H](N1)C
InChI
InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1
InChIKey
CXQRNYIKPJXYLU-ZHBVTVBMSA-N
Compound name
(2R,6R)-2-methyl-6-[(E)-prop-1-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 133.5
[M+Na]+ 162.125318 138.7
[M-H]- 138.128824 133.5
[M+NH4]+ 157.169923 153.3
[M+K]+ 178.099258 136.0
[M+H-H2O]+ 122.133360 127.7
[M+HCOO]- 184.134301 151.1
[M+CH3COO]- 198.149951 172.0
[M+Na-2H]- 160.110766 137.5
[M]+ 139.13555142 127.3
[M]- 139.13664858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe