CID 12216557

(4-methylpyridin-3-yl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

122.0844 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.091676 123.4
[M+Na]+ 145.073618 131.9
[M-H]- 121.077124 125.6
[M+NH4]+ 140.118223 144.3
[M+K]+ 161.047558 129.9
[M+H-H2O]+ 105.081660 117.3
[M+HCOO]- 167.082601 147.8
[M+CH3COO]- 181.098251 173.1
[M+Na-2H]- 143.059066 131.4
[M]+ 122.08385142 121.8
[M]- 122.08494858 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