CID 54319994

(3-ethylpyridin-2-yl)methanamine

Structural Information

Molecular Formula
C8H12N2
SMILES
CCC1=C(N=CC=C1)CN
InChI
InChI=1S/C8H12N2/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2,6,9H2,1H3
InChIKey
SQYJFHDVZXQGAG-UHFFFAOYSA-N
Compound name
(3-ethylpyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

136.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 128.0
[M+Na]+ 159.08927 136.0
[M-H]- 135.09277 130.0
[M+NH4]+ 154.13387 148.3
[M+K]+ 175.06321 133.9
[M+H-H2O]+ 119.09731 121.7
[M+HCOO]- 181.09825 152.1
[M+CH3COO]- 195.11390 176.2
[M+Na-2H]- 157.07472 135.5
[M]+ 136.09950 126.7
[M]- 136.10060 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