CID 20666163

(1,2,3,6-tetrahydropyridin-4-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H12N2
SMILES
C1CNCC=C1CN
InChI
InChI=1S/C6H12N2/c7-5-6-1-3-8-4-2-6/h1,8H,2-5,7H2
InChIKey
XSIYFCJQHCTSMT-UHFFFAOYSA-N
Compound name
1,2,3,6-tetrahydropyridin-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

112.10005 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 123.4
[M+Na]+ 135.089268 128.7
[M-H]- 111.092774 123.2
[M+NH4]+ 130.133873 143.3
[M+K]+ 151.063208 126.6
[M+H-H2O]+ 95.097310 117.3
[M+HCOO]- 157.098251 143.6
[M+CH3COO]- 171.113901 167.0
[M+Na-2H]- 133.074716 130.0
[M]+ 112.09950142 116.2
[M]- 112.10059858 116.2
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