CID 84070418

1-[3-(propan-2-yl)pyridin-2-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C9H14N2
SMILES
CC(C)C1=C(N=CC=C1)CN
InChI
InChI=1S/C9H14N2/c1-7(2)8-4-3-5-11-9(8)6-10/h3-5,7H,6,10H2,1-2H3
InChIKey
XJMYGKOXWMCUBP-UHFFFAOYSA-N
Compound name
(3-propan-2-ylpyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

150.11569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 133.2
[M+Na]+ 173.10491 140.5
[M-H]- 149.10841 135.1
[M+NH4]+ 168.14951 152.8
[M+K]+ 189.07885 138.5
[M+H-H2O]+ 133.11295 126.7
[M+HCOO]- 195.11389 155.9
[M+CH3COO]- 209.12954 180.1
[M+Na-2H]- 171.09036 138.8
[M]+ 150.11514 131.6
[M]- 150.11624 131.6
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