CID 16640598

851670-19-4

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1=C(N=CC=C1)CCN
InChI
InChI=1S/C8H12N2/c1-7-3-2-6-10-8(7)4-5-9/h2-3,6H,4-5,9H2,1H3
InChIKey
DZBIXJNIABTHHX-UHFFFAOYSA-N
Compound name
2-(3-methyl-2-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

136.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 128.0
[M+Na]+ 159.089268 136.0
[M-H]- 135.092774 130.0
[M+NH4]+ 154.133873 148.3
[M+K]+ 175.063208 133.9
[M+H-H2O]+ 119.097310 121.7
[M+HCOO]- 181.098251 152.1
[M+CH3COO]- 195.113901 176.2
[M+Na-2H]- 157.074716 135.5
[M]+ 136.09950142 126.7
[M]- 136.10059858 126.7
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