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]+ 113.10733 123.4
[M+Na]+ 135.08927 128.7
[M-H]- 111.09277 123.2
[M+NH4]+ 130.13387 143.3
[M+K]+ 151.06321 126.6
[M+H-H2O]+ 95.097310 117.3
[M+HCOO]- 157.09825 143.6
[M+CH3COO]- 171.11390 167.0
[M+Na-2H]- 133.07472 130.0
[M]+ 112.09950 116.2
[M]- 112.10060 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