CID 1514375

(3-methylpyridin-4-yl)methanamine

Structural Information

Molecular Formula
C7H10N2
SMILES
CC1=C(C=CN=C1)CN
InChI
InChI=1S/C7H10N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,4,8H2,1H3
InChIKey
DZMLSCJHELOPFT-UHFFFAOYSA-N
Compound name
(3-methylpyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

122.0844 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 123.4
[M+Na]+ 145.07362 131.9
[M-H]- 121.07712 125.6
[M+NH4]+ 140.11822 144.3
[M+K]+ 161.04756 129.9
[M+H-H2O]+ 105.08166 117.3
[M+HCOO]- 167.08260 147.8
[M+CH3COO]- 181.09825 173.1
[M+Na-2H]- 143.05907 131.4
[M]+ 122.08385 121.8
[M]- 122.08495 121.8
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