CID 45791197

885277-04-3

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1=CN=C(C=C1)C(C)N
InChI
InChI=1S/C8H12N2/c1-6-3-4-8(7(2)9)10-5-6/h3-5,7H,9H2,1-2H3
InChIKey
XXAOROMGOIPMQJ-UHFFFAOYSA-N
Compound name
1-(5-methyl-2-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

136.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 128.5
[M+Na]+ 159.089268 136.3
[M-H]- 135.092774 130.7
[M+NH4]+ 154.133873 148.7
[M+K]+ 175.063208 134.6
[M+H-H2O]+ 119.097310 122.2
[M+HCOO]- 181.098251 151.6
[M+CH3COO]- 195.113901 177.0
[M+Na-2H]- 157.074716 134.7
[M]+ 136.09950142 126.6
[M]- 136.10059858 126.6
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