CID 81574

1-methylpiperidine-4-methylamine

Structural Information

Molecular Formula
C7H16N2
SMILES
CN1CCC(CC1)CN
InChI
InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
InChIKey
AGTPSAZJSOQXHJ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2043
Patents

128.13135 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 129.4
[M+Na]+ 151.120568 134.6
[M-H]- 127.124074 130.4
[M+NH4]+ 146.165173 149.7
[M+K]+ 167.094508 133.5
[M+H-H2O]+ 111.128610 123.1
[M+HCOO]- 173.129551 149.3
[M+CH3COO]- 187.145201 174.2
[M+Na-2H]- 149.106016 134.2
[M]+ 128.13080142 123.3
[M]- 128.13189858 123.3
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