CID 5153349

Cyclopropyl(pyridin-3-yl)methanamine

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC1C(C2=CN=CC=C2)N
InChI
InChI=1S/C9H12N2/c10-9(7-3-4-7)8-2-1-5-11-6-8/h1-2,5-7,9H,3-4,10H2
InChIKey
FSWNPAICGSWQJU-UHFFFAOYSA-N
Compound name
cyclopropyl(pyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

148.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 130.9
[M+Na]+ 171.08927 139.2
[M-H]- 147.09277 136.6
[M+NH4]+ 166.13387 145.4
[M+K]+ 187.06321 136.2
[M+H-H2O]+ 131.09731 123.5
[M+HCOO]- 193.09825 154.4
[M+CH3COO]- 207.11390 180.9
[M+Na-2H]- 169.07472 137.8
[M]+ 148.09950 130.1
[M]- 148.10060 130.1
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